• 한국결정학회지
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• 제11권1호
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• pp.22-27
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• 2000

The structure of cis-(malonato)[(4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane]platinum(II) with a potent anticancer activity has been determined by the X-ray crystallographic method. Crystal data are as follows: Pt(C/sub 11/H/sub 20/N₂O/sub 6/), M/sub 4/=471.38, monoclinic, P2₁, a=7.112(1), b=33.615(3), c=7.135(1)Å, β=116.80(1)°, V=1522.6(3)Å, and Z=4. The two independent molecules with very similar structures are approximately related by pseudo two-fold screw axis symmetry, which makes the monolinic cell look like the orthorhombic cell with one molecule in the asymmetric unit and space group C222₁. The crystal packing mode is similar to that of the analogue with the dimethyl substituents instead of the isopropyl group. The Pt atom is coordinate to two O and two N atoms in a square planar structure. The six-membered chelate ring in the leaving ligand assumes a conformation intermediate between the half chair and the boat forms. The seven-membered ring in the carrier ligand assumes a twist-chair conformation and the oxolane ring assumes an envelope conformation. Crystal packing consists of the extensive hydrogen-bonding network in the two-dimensional molecular layers and weak van der Waals interactions between these layers.

• 한국결정학회지
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• 제15권2호
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• pp.83-87
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• 2004

유기금속 착화합물 $Me_2Pt(PPh_2CH_2C(t-Bu)=N-N=CMe(2-py)-\kappa^2N,P)$을 phosphino hydrazone $Ph_2PCH_2C(t-Bu)=NNH_2$와 2-acetylpyridine와 $[PtMe2({\mu}-SMe_2)]_2$를 사용하여 합성하였다. X-선 회절법을 이용하여 이 화합물의 분자 구조를 규명하였다. 이 백금 화합물의 결정학적 자료는 monoclinic, space group $P2_1/n,\;a=11.6926(7)\;{\AA},\;b=15.6607(19)\;{\AA},\; c=14.6125(6)\;{\AA},\;\beta=93.018(4)^{\circ},\;Z=4,\;V=2672.0(4)\;{\AA}^3$이다. 결정 구조는 직접법으로 해석하였으며, 5238개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.0363인 분자 모형을 구하였다.

• 한국결정학회지
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• 제15권2호
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• pp.88-92
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• 2004

유기금속 화합물 $(C_{16}H_{21}B_{10}BrOSn)$를 o-carborane으로부터 출발하여 closo-1-[(methoxyl) methyl]-o-carborane$(HCab^o)$를 합성하고, $SnMe_2Br_2$을 가하여 합성하였다. X-선 회절법을 이용하여 $(C_{16}H_{21}B_{10}BrOSn)$ 화합물의 분자구조를 규명하였다. 이 화합물의 결정학적 자료는 orthorhombic, space group Pna2, a =17.9292(15)$\AA$, b= 7.2066(4)$\AA$, c=13.0582(10)$\AA$, Z=4, V=1687.2(2)$\AA^3$이다. 결정 구조는 직접법으로 해석하였으며, 1724개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.0574인 분자 모형을 구하였다.

• 대한금속재료학회지
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• 제47권9호
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• pp.523-532
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• 2009

In this study, four API X80 linepipe steel specimens were fabricated with varying cooling rates and finish cooling temperatures, and their microstructures and crystallographic orientations were analyzed to investigate the effects of cooling conditions on their tensile and Charpy impact properties. All the specimens consisted of acicular ferrite, granular bainite, and secondary phases such as martensite and martensiteaustenite constituent. The volume fraction of secondary phases increased with increasing cooling rate, and the higher finish cooling temperature resulted in the reduction in volume fraction and grain size of secondary phases. According to the crystallographic orientation analysis data, the effective grain size and unit crack path decreased as fine acicular ferrites having a large amount of high-angle grain boundaries were homogeneously formed, thereby leading to the improvement of Charpy impact properties. The specimen fabricated with the higher cooling rate and lower finish cooling temperature had the highest upper shelf energy and the lowest energy transition temperature because it contained a large amount of fine secondary phases homogeneously distributed inside fine acicular ferrites, while its tensile properties well maintained.

• BMB Reports
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• 제30권4호
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• pp.296-298
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• 1997

A bacterial glutathione S-transferase from Pseudomonas sp. DJ77 has been crystallized. The crystals diffract to at least $2.3\;\AA$ resolution, and belong to the orthorhombic space group $P2_{1}2_{1}2_{1}$, with cell parameters $a=97.4\;\AA,\;b=100.3\;\AA$, and $c=46.0\;\AA$. There is one dimer molecule of pGST per crystallographic asymmetric unit. with the crystal volume per protein mass of $2.34\;\AA^3/dalton$ and a solvent content of about 47% (v/v).

• 한국결정학회지
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• 제19권1호
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• pp.14-20
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• 2008

Enantiomorphic space group $P6_122$를 가진 $C_{56}H_{56}Cl_6Cr_2P_4$의 절대구조(絶對構造)가 anomalous dispersion effect를 사용하여 확인(確認)되었다.

• Applied Microscopy
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• 제45권4호
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• pp.203-207
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• 2015

Sample preparation is very important for crystal structure analysis of novel nanostructured materials in electron microscopy. Generally, a grid dispersion method has been used as transmission electron microscope (TEM) sampling method of nano-powder samples. However, it is difficult to obtain the cross-sectional information for the tabular-structured materials. In order to solve this problem, we have attempted a new sample preparation method using focused ion beam. Base on this approach, it was possible to successfully obtain the electron diffraction patterns and high-resolution TEM images of the cross-section of tabular structure. Finally, we were able to obtain three-dimensional crystallographic information of novel zeolite nano-crystal of the tabular morphology by applying the new sample preparation technique.

• 한국결정학회지
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• 제1권1호
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• pp.1-7
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• 1990

Incommensurate 구조에 기인한 회절점들의 체계적인 소멸칙 (extinction rule)의 분석을 통하여 Ba2NaNb5O15(BSN)에 나타나는 incommensurate상의 대칭성이 4차원 초공간군(superspace group) C에 속함을 알 수 있었다. Lock-in superstructure의 공간군은 Ima2(C초)임을 밝혀 내었으며, 그리고 BSH에서의 incommensurate상의 원인을 간략하게 논술하였다. 특히 HREM이 미지를 통하여 discommensuration이 존재함을 확인하였다. 덧붙여, BS각의 구조상 전이에 대하여 군론적 해석을 제시하였다.

• 한국결정학회지
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• 제6권2호
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• pp.80-87
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• 1995

Tetrapropionyloxycalix[4]arene(C40H40O8)의 결정 및 분자를 X-선 회절법으로 연구하였다. 이 결정은 단사정계이고 공간군은 P21/n이다. 단위세포 길이는 a=13.921(3), b=13.552(2), c=19.840(5)Å이며, β=110.38(2)°, Z=4이다. 회절반점들의 세기는 흑연단색화 장치가 있는 Enraf-Nonius CAD-4 Diffractometer로 얻었으며, Mo-Kα X-선(λ=0.7107Å)을 사용하였다. 분자구조는 직접법으로 풀었으며 최소자승법으로 정밀화하였다. 최종 신뢰도 R값은 2514개의 회절반점에 대하여 0.06이었다. 본 Calixarene은 partial cone conformation을 이루고 있어 세 개의 phenyl group들과 나머지 한 개의 phenyl group사이에 서로 다른 배향을 가지고 있다. 세 개의 phenyl group들은 macrocycle로 된 cavity 바깥쪽을 향하여 배열되어 있다.

• Molecules and Cells
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• 제19권3호
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• pp.398-401
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• 2005

The bacterial enzyme UDP-N-acetylglucosamine enolpyruvyl transferase catalyzes the first committed step of peptidoglycan biosynthesis, i.e., transfer of enolpyruvate from phosphoenolpyruvate to UDP-N-acetyl-glucosamine. We have overexpressed the enzyme from Haemophilus influenzae in Escherichia coli and crystallized it in the apo-form, as well as in a complex with UDP-N-acetylglucosamine and fosfomycin using ammonium sulfate as the precipitant. X-ray diffraction data from a crystal of the apo-form were collected to $2.8{\AA}$ resolution at 293 K. The crystal quality was improved by co-crystallization with UDP-N-acetylglucosamine and fosfomycin. X-ray data to $2.2{\AA}$ have been collected at 100 K from a flash-frozen crystal of the complex. The complex crystals belong to the orthorhombic space group I222 (or $I2_12_12_1$) with unit-cell parameters of a = 63.7, b = 124.5, and $c=126.3{\AA}$. Assuming a monomer of the recombinant enzyme in the crystallographic asymmetric unit, the calculated Matthews parameter ($V_M$) is $2.71{\AA}^3Da^{-1}$ and solvent content is 54.6%.