Search results

Formula: - C19.17 H17 N O3 -
Comments: Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids. Organic letters 5(14) (2003) 2531-2534
Space group: P 65
Cell volume: 2666.7
Cell parameters: 19.154; 19.154; 8.393; 90; 90; 120;

COD ID: 1507506
CIF file	Formula: - C21 H26 N2 O2 - Comments: Myers, Andrew G.; Barbay, Joseph K. On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates Organic Letters 3(3) (2001) 425 Space group: P 65 Cell volume: 2718.5 Cell parameters: 10.0689; 10.0689; 30.962; 90; 90; 120;

COD ID: 1513514
CIF file	Formula: - C27 H39 N3 O9 S3 - Comments: Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish Porous organic material from discotic tricarboxyamide: side chain-core interactions. Organic letters 16(1) (2014) 38-41 Space group: P 65 Cell volume: 4991.3 Cell parameters: 16.4549; 16.4549; 21.286; 90; 90; 120;

COD ID: 1513606

Formula: - C126 H84 La3 N3 O21 -
Comments: Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy Chemical Science 5(2) (2014) 660
Space group: P 65
Cell volume: 22236.3
Cell parameters: 34.2658; 34.2658; 21.8681; 90; 90; 120;

COD ID: 1515605
CIF file	Formula: - C12 H36 B3 N3 - Comments: Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity Chemical Science 2(8) (2011) 1554 Space group: P 65 Cell volume: 10353 Cell parameters: 19.5895; 19.5895; 31.1522; 90; 90; 120;

COD ID: 1515754
CIF file	Formula: - C38 H55 N5 O8 - Comments: Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish Mesoporous vesicles from supramolecular helical peptide as drug carrier Soft Matter 7(21) (2011) 10174 Space group: P 65 Cell volume: 6208.4 Cell parameters: 10.9741; 10.9741; 59.527; 90; 90; 120;

COD ID: 1517138
CIF file	Formula: - C58 H48 N4 O4 Ti - Comments: Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands Inorganica Chimica Acta 402 (2013) 140-155 Space group: P 65 Cell volume: 8158.3 Cell parameters: 25.6435; 25.6435; 14.3257; 90; 90; 120;

COD ID: 1517848

Formula: - C27 H31 N2 O5 -
Comments: Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products. Organic letters 16(20) (2014) 5358-5361
Space group: P 65
Cell volume: 8361.6
Cell parameters: 38.5889; 38.5889; 6.4839; 90; 90; 120;

COD ID: 1519686

Formula: - C43 H59 Cl3 N4 O7 -
Comments: Lim, Kuan-Hon; Raja, Vijay J.; Bradshaw, Tracey D.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Ibogan, tacaman, and cytotoxic bisindole alkaloids from tabernaemontana. Cononusine, an iboga alkaloid with unusual incorporation of a pyrrolidone moiety. Journal of natural products 78(5) (2015) 1129-1138
Space group: P 65
Cell volume: 7473.7
Cell parameters: 25.987; 25.987; 12.7789; 90; 90; 120;

COD ID: 1530237
CIF file	Formula: - Ba H2 N2 O5 - Comments: Kvick, A.; Abrahams, S.C.; Liminga, R. Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K Journal of Chemical Physics 76 (1982) 5508-5514 Space group: P 65 Cell volume: 775.539 Cell parameters: 7.0749; 7.0749; 17.8909; 90; 90; 120;

COD ID: 1534351

Formula: - C16 H30 N2 O5 S -
Comments: Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water. Soft matter 12(1) (2015) 238-245
Space group: P 65
Cell volume: 3148.95
Cell parameters: 11.4458; 11.4458; 27.7551; 90; 90; 120;

COD ID: 1534397

Formula: - C30 H25 Cl3 N2 S2 -
Comments: Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci. 7(1) (2016) 451
Space group: P 65
Cell volume: 4302.3
Cell parameters: 13.8888; 13.8888; 25.754; 90; 90; 120;

COD ID: 1534555

Formula: - B Co1.25 H7 N0.5 O10.5 P2 -
Comments: Schaefer, G.; Carrillo-Cabrera, W.; Schnelle, W.; Borrmann, H.; Kniep, R. Synthesis and crystal structure of ((N H4)x Co3/2-x/2) (H2 O)2 (B P2 O8) * (1-x)(H2 O) (x = 0.5) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 289-294
Space group: P 65
Cell volume: 1215.7
Cell parameters: 9.4914; 9.4914; 15.5825; 90; 90; 120;

COD ID: 1540580

Formula: - C34 H30 O2 -
Comments: Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers. Organic letters 17(24) (2015) 6018-6021
Space group: P 65
Cell volume: 3990.3
Cell parameters: 26.2091; 26.2091; 6.7076; 90; 90; 120;

COD ID: 1543721

Formula: - C19 H20 O9 -
Comments: Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22 Journal of Natural Products (2016)
Space group: P 65
Cell volume: 2671.83
Cell parameters: 10.936; 10.936; 25.7965; 90; 90; 120;

COD ID: 1544649
CIF file	Formula: - C19 H35 N3 O7 - Comments: Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish A self-assembled peptide mimetic of a tubular host and a supramolecular polymer Polym. Chem. 8(2) (2017) 396 Space group: P 65 Cell volume: 3797.9 Cell parameters: 19.7793; 19.7793; 11.2095; 90; 90; 120;

COD ID: 1546098

Formula: - C20 H30 O9 -
Comments: Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia. Organic letters 19(11) (2017) 3029-3032
Space group: P 65
Cell volume: 3784.4
Cell parameters: 18.6492; 18.6492; 12.5645; 90; 90; 120;

COD ID: 1546317
CIF file	Formula: - C26 H34 Cl N O5 S - Comments: Al-Saffar, Firas M; Brown, Richard C. D. A Two-Directional Synthesis of (+)-β-Isosparteine. Organic letters 19(13) (2017) 3502-3504 Space group: P 65 Cell volume: 4037.7 Cell parameters: 29.348; 29.348; 5.4131; 90; 90; 120;

COD ID: 1546799
CIF file	Formula: - C16 H21 N O3 - Comments: Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum. Organic letters 19(17) (2017) 4668-4671 Space group: P 65 Cell volume: 2160.65 Cell parameters: 12.9639; 12.9639; 14.8451; 90; 90; 120;

COD ID: 1546956
CIF file	Formula: - C24 H36 O3 - Comments: Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao Anti-inflammatory Meroterpenoids from Baeckea frutescens. Journal of natural products 80(8) (2017) 2204-2214 Space group: P 65 Cell volume: 3294.06 Cell parameters: 10.1208; 10.1208; 37.134; 90; 90; 120;

COD ID: 1547006

Formula: - C24 H18 Cl F5 N6 O -
Comments: Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones. Organic letters 19(17) (2017) 4448-4451
Space group: P 65
Cell volume: 3907.79
Cell parameters: 17.34103; 17.34103; 15.00551; 90; 90; 120;

COD ID: 1547604

Formula: - C9 H7 F2 N O4 -
Comments: Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect. Organic letters 19(20) (2017) 5689-5692
Space group: P 65
Cell volume: 4471.7
Cell parameters: 15.9119; 15.9119; 20.3939; 90; 90; 120;

COD ID: 1547860

Formula: - C30.16 H25.33 Cl0.33 N O2 -
Comments: Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles. Organic letters 19(22) (2017) 6112-6115
Space group: P 65
Cell volume: 7092.64
Cell parameters: 26.4511; 26.4511; 11.7055; 90; 90; 120;

COD ID: 1549804

Formula: - C18 H18 Cl N3 O -
Comments: Lee, Ji Hye; Koh, Dongsoo 2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride IUCrData 3(8) (2018) x181152
Space group: P 65
Cell volume: 2460.5
Cell parameters: 9.9013; 9.9013; 28.981; 90; 90; 120;

COD ID: 1550337

Formula: - C31 H38 Cl2 O5 P S -
Comments: Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry 10(4) (2019) 546
Space group: P 65
Cell volume: 4793.9
Cell parameters: 22.6855; 22.6855; 10.7563; 90; 90; 120;

COD ID: 1551356
CIF file	Formula: - C36 H30 Cl2 F12 Mn N4 - Comments: Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White Chemoselective methylene oxidation in aromatic molecules Nature Chemistry 11 (2019) 213-221 Space group: P 65 Cell volume: 5608.1 Cell parameters: 9.2109; 9.2109; 76.327; 90; 90; 120;

COD ID: 1553313
CIF file	Formula: - C14 H20 O4 - Comments: Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata. Journal of natural products 81(5) (2018) 1148-1153 Space group: P 65 Cell volume: 2253.42 Cell parameters: 15.7712; 15.7712; 10.4612; 90; 90; 120;

COD ID: 1554275
CIF file	Formula: - C70 H84 O24 - Comments: Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity Organic Chemistry Frontiers 5(7) (2018) 1079 Space group: P 65 Cell volume: 9974.97 Cell parameters: 14.7018; 14.7018; 53.2893; 90; 90; 120;

COD ID: 1554744

Formula: - C30 H43 N O7 -
Comments: Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate Organic Chemistry Frontiers 6(6) (2019) 868
Space group: P 65
Cell volume: 4717.3
Cell parameters: 17.407; 17.407; 17.977; 90; 90; 120;

COD ID: 1555176

Formula: - C18 H26 O6 -
Comments: Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp. Organic Chemistry Frontiers 6(23) (2019) 3847
Space group: P 65
Cell volume: 2669.99
Cell parameters: 20.3875; 20.3875; 7.4174; 90; 90; 120;

COD ID: 1555367
CIF file	Formula: - C18 H23 N O7 - Comments: N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V. Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene. Organic letters 17(21) (2015) 5312-5315 Space group: P 65 Cell volume: 2746.08 Cell parameters: 10.2093; 10.2093; 30.4222; 90; 90; 120;

COD ID: 1555919
CIF file	Formula: - C15 H12 N2 O - Comments: Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines. Organic letters 18(22) (2016) 5928-5931 Space group: P 65 Cell volume: 1805.2 Cell parameters: 6.1726; 6.1726; 54.71; 90; 90; 120;

COD ID: 1555920
CIF file	Formula: - C15 H12 N2 O - Comments: Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines. Organic letters 18(22) (2016) 5928-5931 Space group: P 65 Cell volume: 1805.2 Cell parameters: 6.1726; 6.1726; 54.71; 90; 90; 120;

COD ID: 1556162
CIF file	Formula: - C24 H22 O6 - Comments: Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions. Organic letters 15(12) (2013) 2958-2961 Space group: P 65 Cell volume: 3257.92 Cell parameters: 19.1393; 19.1393; 10.2697; 90; 90; 120;

COD ID: 1558399
CIF file	Formula: - F I2 O6 Y - Comments: Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials Chemical Science (2020) Space group: P 65 Cell volume: 885 Cell parameters: 6.8455; 6.8455; 21.807; 90; 90; 120;

COD ID: 1564160

Formula: - C64 H52 Cl2 Mo2 N2 O9 P2 -
Comments: Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation Inorganica Chimica Acta 511 (2020) 119775
Space group: P 65
Cell volume: 9829.9
Cell parameters: 12.2043; 12.2043; 76.2069; 90; 90; 120;

COD ID: 1564322
CIF file	Formula: - C54.26 H54 Ca0.75 N14 O39.41 S3 - Comments: Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles Chemical Science (2021) Space group: P 65 Cell volume: 12920.8 Cell parameters: 17.90824; 17.90824; 46.5216; 90; 90; 120;

COD ID: 1564370

Formula: - C29 H65 N3 O13 P3 Tb -
Comments: Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers Chemical Science (2021)
Space group: P 65
Cell volume: 5898.8
Cell parameters: 17.0143; 17.0143; 23.529; 90; 90; 120;

COD ID: 1569428
CIF file	Formula: - C35 H31 N3 O4 S - Comments: Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes. Chemical science 14(29) (2023) 7999-8005 Space group: P 65 Cell volume: 4771.6 Cell parameters: 21.8313; 21.8313; 11.5605; 90; 90; 120;

COD ID: 2003474
CIF file Original IUCr paper	Formula: - C38 H42 N4 O6 Si - Comments: Barnes, J. C.; Field, R. A. Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside Acta Crystallographica Section C 51(5) (1995) 1018-1020 Space group: P 65 Cell volume: 5535 Cell parameters: 15.273; 15.273; 27.399; 90; 90; 120;

COD ID: 2005812
CIF file Original IUCr paper	Formula: - C12 H20 O4 - Comments: Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B. Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i> Acta Crystallographica Section C 52(12) (1996) 3216-3217 Space group: P 65 Cell volume: 1830.03 Cell parameters: 7.755; 7.755; 35.137; 90; 90; 120;

COD ID: 2007640
CIF file Original IUCr paper	Formula: - C10.48 H17.2 O2.12 - Comments: Lutz, Martin; Spek, Anthony L. (2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate Acta Crystallographica Section C 54(9) (1998) 1293-1295 Space group: P 65 Cell volume: 1632.5 Cell parameters: 16.9681; 16.9681; 6.5473; 90; 90; 120;

COD ID: 2010341
CIF file Original IUCr paper	Formula: - C18 H12 O2 S2 - Comments: Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul (6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione Acta Crystallographica Section C 50(12) (1994) 1922-1924 Space group: P 65 Cell volume: 4469 Cell parameters: 9.936; 9.936; 52.27; 90; 90; 120;

COD ID: 2010996

Formula: - C8 H21 N3 Ni O10 S -
Comments: Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V. The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles Acta Crystallographica Section C 56(6) (2000) 655-658
Space group: P 65
Cell volume: 2445.6
Cell parameters: 8.7242; 8.7242; 37.102; 90; 90; 120;

COD ID: 2014724

Formula: - C23 H34 O5 -
Comments: Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J. 17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate Acta Crystallographica Section C 61(3) (2005) o131-o133
Space group: P 65
Cell volume: 3609.5
Cell parameters: 22.885; 22.885; 7.9582; 90; 90; 120;

COD ID: 2017833

Formula: - C29 H18 F3 N3 -
Comments: Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna 1,3,4-Triphenyl-7-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline at 293 and 100K Acta Crystallographica Section C 66(9) (2010) o488-o492
Space group: P 65
Cell volume: 10007.2
Cell parameters: 23.0675; 23.0675; 21.716; 90; 90; 120;

COD ID: 2017834

Formula: - C29 H18 F3 N3 -
Comments: Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna 1,3,4-Triphenyl-7-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline at 293 and 100K Acta Crystallographica Section C 66(9) (2010) o488-o492
Space group: P 65
Cell volume: 10341.4
Cell parameters: 23.2368; 23.2368; 22.1155; 90; 90; 120;

COD ID: 2021263

Formula: - C36 H25 Eu N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 65
Cell volume: 5548.3
Cell parameters: 15.1172; 15.1172; 28.034; 90; 90; 120;

COD ID: 2021265

Formula: - C36 H25 Gd N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 65
Cell volume: 5435.5
Cell parameters: 14.9855; 14.9855; 27.949; 90; 90; 120;

COD ID: 2021267

Formula: - C36 H25 Dy N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 65
Cell volume: 5370
Cell parameters: 14.905; 14.905; 27.912; 90; 90; 120;

COD ID: 2021269

Formula: - C36 H25 N6 O14 Tb -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 65
Cell volume: 5402.7
Cell parameters: 14.9349; 14.9349; 27.969; 90; 90; 120;

COD ID: 2021618

Formula: - C15 H28 O13 -
Comments: Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S. Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate Acta Crystallographica Section C Structural Chemistry 75(6) (2019)
Space group: P 65
Cell volume: 2817.7
Cell parameters: 7.8682; 7.8682; 52.555; 90; 90; 120;

COD ID: 2101407
CIF file Original IUCr paper	Formula: - C60.5 H86 N10 O17 S2 - Comments: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B 51(6) (1995) 987-999 Space group: P 65 Cell volume: 10513 Cell parameters: 22.196; 22.196; 24.64; 90; 90; 120;

COD ID: 2101517
CIF file Original IUCr paper	Formula: - Co Na O4 P - Comments: Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B 52(3) (1996) 440-449 Space group: P 65 Cell volume: 2137.4 Cell parameters: 10.166; 10.166; 23.881; 90; 90; 120;

COD ID: 2202181

Formula: - C23 H32 O9 -
Comments: Xue-Song Huang; Ren-Wang Jiang; Vincent Eng-Choon Ooi Trilobolide-6-O-isobutyrate, a eudesmanolide from Wedelia trilobata Acta Crystallographica Section E 59(6) (2003) o771-o772
Space group: P 65
Cell volume: 3557.7
Cell parameters: 9.8368; 9.8368; 42.455; 90; 90; 120;

COD ID: 2202218

Formula: - C15 H18 O6 -
Comments: Dale, Sophie H.; Elsegood, Mark R. J. Triethyl benzene-1,3,5-tricarboxylate Acta Crystallographica Section E 59(6) (2003) o836-o837
Space group: P 65
Cell volume: 2191.5
Cell parameters: 11.3438; 11.3438; 19.665; 90; 90; 120;

COD ID: 2207317

Formula: - C16 H27 Cl3 N2 O5 -
Comments: Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi tert-Butoxycarbonyl-L-leucyl-L-alanine trichloroethyl ester (Boc-L-Leu-L-Ala-OTce) Acta Crystallographica Section E 61(11) (2005) o3864-o3866
Space group: P 65
Cell volume: 3418.8
Cell parameters: 12.1055; 12.1055; 26.939; 90; 90; 120;

COD ID: 2207709

Formula: - C24 H27 Cu N3 O8 -
Comments: Gao, Shan; Ng, Seik Weng catena-Poly[[[tris(pyridine-κN)copper(II)]-μ-3-carboxylatophenoxyacetato-κ^2^O^3^:O'] trihydrate] Acta Crystallographica Section E 61(12) (2005) m2696-m2698
Space group: P 65
Cell volume: 3888.6
Cell parameters: 14.408; 14.408; 21.63; 90; 90; 120;

COD ID: 2209271

Formula: - C18 H31 Cl3 N2 O5 -
Comments: Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi tert-Butoxycarbonyl-L-leucyl-L-valine trichloroethyl ester (Boc-L-Leu-L-Val-OTce) Acta Crystallographica Section E 62(6) (2006) o2347-o2349
Space group: P 65
Cell volume: 3560
Cell parameters: 12.245; 12.245; 27.416; 90; 90; 120;

COD ID: 2213452

Formula: - C14 H22 O6 -
Comments: Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J. 2,3:5,6-Di-O-isopropylidene-3,5-di-C-methyl-L-mannono-1,4-lactone Acta Crystallographica Section E 63(5) (2007) o2204-o2206
Space group: P 65
Cell volume: 2624.03
Cell parameters: 15.6104; 15.6104; 12.434; 90; 90; 120;

COD ID: 2217325

Formula: - C15 H22 O3 -
Comments: Gallucci, Judith C.; Inomata, Kohei; Dura, Robert D.; Paquette, Leo A. (+)-(1S,5R,10S)-11,11-Dimethyl-4-oxatricyclo[8.4.0.0^1,5^]tetradecane-3,12-dione Acta Crystallographica Section E 64(1) (2008) o287-o287
Space group: P 65
Cell volume: 1916
Cell parameters: 7.6239; 7.6239; 38.064; 90; 90; 120;

COD ID: 2232717

Formula: - C8 H7 F3 N2 O4 S -
Comments: Liu, Ming-Liang 2-Trifluoromethyl-1H-benzimidazol-3-ium hydrogen sulfate Acta Crystallographica Section E 67(12) (2011) o3473
Space group: P 65
Cell volume: 1684.7
Cell parameters: 9.4119; 9.4119; 21.96; 90; 90; 120;

COD ID: 2311167

Formula: - C24 H24 F N3 O2 S -
Comments: Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan 5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide. Acta crystallographica. Section E, Structure reports online 69(Pt 8) (2013) o1229
Space group: P 65
Cell volume: 3563.2
Cell parameters: 13.2082; 13.2082; 23.584; 90; 90; 120;

COD ID: 4000104
CIF file	Formula: - B Fe1.05 H0 N0.41 O10.59 P2 - Comments: Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]0.6H2O and NH4Fe[BP2O8(OH)] Chemistry of Materials (2001) Space group: P 65 Cell volume: 1222.5 Cell parameters*: 9.483; 9.483; 15.697; 90; 90; 120;

COD ID: 4001602

Formula: - C42.33 H52.67 Br Cl0.67 N O3 -
Comments: Melville, James L.; Lovelock, Kevin R. J.; Wilson, Claire; Allbutt, Bryan; Burke, Edmund K.; Lygo, Barry; Hirst, Jonathan D. Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships Journal of Chemical Information and Modeling 45(4) (2005) 971
Space group: P 65
Cell volume: 18167.6
Cell parameters: 16.4176; 16.4176; 77.83; 90; 90; 120;

COD ID: 4003500
CIF file	Formula: - Cs K Mo O9 P2 - Comments: Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9 Chemistry of Materials (2020) Space group: P 65 Cell volume: 1359 Cell parameters: 8.446; 8.446; 21.998; 90; 90; 120;

COD ID: 4003935
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4073 Cell parameters: 10.2757; 10.2757; 44.5409; 90; 90; 120;

COD ID: 4003936
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4084.2 Cell parameters: 10.2919; 10.2919; 44.5234; 90; 90; 120;

COD ID: 4003937
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4097.8 Cell parameters: 10.3118; 10.3118; 44.4991; 90; 90; 120;

COD ID: 4003938
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4112.6 Cell parameters: 10.3327; 10.3327; 44.479; 90; 90; 120;

COD ID: 4003939
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4129.8 Cell parameters: 10.3565; 10.3565; 44.4604; 90; 90; 120;

COD ID: 4003940
CIF file	Formula: - C32 H38 N2 O5 - Comments: Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique Chemistry of Materials (2021) Space group: P 65 Cell volume: 4145.6 Cell parameters: 10.3834; 10.3834; 44.399; 90; 90; 120;

COD ID: 4020326
CIF file	Formula: - C15 H23 N O4 - Comments: Albert Padwa; John D. Ginn Journal of Organic Chemistry 70 (2005) 5197-5206 Space group: P 65 Cell volume: 2165.8 Cell parameters: 9.1922; 9.1922; 29.597; 90; 90; 120;

COD ID: 4020550

Formula: - C19 H32 N2 O5 -
Comments: Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study Journal of Organic Chemistry 70 (2005) 7963-7971
Space group: P 65
Cell volume: 3245
Cell parameters: 11.8865; 11.8865; 26.52; 90; 90; 120;

COD ID: 4021662
CIF file	Formula: - C14 H11 N O2 S - Comments: Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor Journal of Organic Chemistry 71 (2006) 3650-3652 Space group: P 65 Cell volume: 1856.24 Cell parameters: 9.841; 9.841; 22.1322; 90; 90; 120;

COD ID: 4022899

Formula: - C9 H9 N2 O4 P -
Comments: Tiago A. S. Brandão; Elisa S. Orth; Willian R. Rocha; Adailton J. Bortoluzzi; Clifford A. Bunton; Faruk Nome Intramolecular General Acid Catalysis of the Hydrolysis of 2-(2'-Imidazolium)phenyl Phosphate, and Bond Length-Reactivity Correlations for Reactions of Phosphate Monoester Monoanions Journal of Organic Chemistry 72 (2007) 3800-3807
Space group: P 65
Cell volume: 1499.2
Cell parameters: 9.085; 9.085; 20.973; 90; 90; 120;

COD ID: 4023148

Formula: - C15 H18 Cl N O4 -
Comments: Sanzhong Luo; Long Zhang; Xueling Mi; Yupu Qiao; Jin-Pei Cheng Functionalized Chiral Ionic Liquid Catalyzed Enantioselective Desymmetrizations of Prochiral Ketones via Asymmetric Michael Addition Reaction Journal of Organic Chemistry 72 (2007) 9350-9352
Space group: P 65
Cell volume: 2456.3
Cell parameters: 17.25; 17.25; 9.5313; 90; 90; 120;

COD ID: 4024604
CIF file	Formula: - C20 H30 N2 O4 - Comments: Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry 74 (2009) 4655-4665 Space group: P 65 Cell volume: 3216 Cell parameters: 11.728; 11.728; 26.998; 90; 90; 120;

COD ID: 4024606
CIF file	Formula: - C20 H29 I N2 O4 - Comments: Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry 74 (2009) 4655-4665 Space group: P 65 Cell volume: 3462.8 Cell parameters: 12.1051; 12.1051; 27.288; 90; 90; 120;

COD ID: 4025255
CIF file	Formula: - C29 H37 N3 O11 S - Comments: Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes Journal of Organic Chemistry 75 (2010) 1402-1409 Space group: P 65 Cell volume: 4929.4 Cell parameters: 22.7516; 22.7516; 10.9962; 90; 90; 120;

COD ID: 4026209
CIF file HKL data	Formula: - C36 H66 Cl2 N4 O3 S2 - Comments: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines Journal of Organic Chemistry 76 (2011) 2635-2647 Space group: P 65 Cell volume: 3339.4 Cell parameters: 17.6766; 17.6766; 12.3407; 90; 90; 120;

COD ID: 4028628
CIF file	Formula: - C19 H16 Br N3 O - Comments: Sandra Milosevic; Antonio Togni Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos Journal of Organic Chemistry 78 (2013) 9638-9646 Space group: P 65 Cell volume: 2641.8 Cell parameters: 19.3207; 19.3207; 8.1719; 90; 90; 120;

COD ID: 4030600

Formula: - C24 H35 N3 O2 -
Comments: Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones. The Journal of organic chemistry 80(3) (2015) 1533-1549
Space group: P 65
Cell volume: 3614.4
Cell parameters: 17.4169; 17.4169; 13.7581; 90; 90; 120;

COD ID: 4032168

Formula: - C27 H31 F6 N2 P -
Comments: Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis. The Journal of organic chemistry 82(4) (2017) 1880-1887
Space group: P 65
Cell volume: 4091.1
Cell parameters: 10.0763; 10.0763; 46.527; 90; 90; 120;

COD ID: 4032650

Formula: - C10 H12 O2 -
Comments: Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D. Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones. The Journal of organic chemistry 82(15) (2017) 8008-8022
Space group: P 65
Cell volume: 1441.56
Cell parameters: 14.7787; 14.7787; 7.6213; 90; 90; 120;

COD ID: 4032677

Formula: - C22 H20 Br N O6 S -
Comments: Kim, Hanna; Kim, Yerin; Kim, Sung-Gon Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines. The Journal of organic chemistry (2017)
Space group: P 65
Cell volume: 3245.2
Cell parameters: 11.4848; 11.4848; 28.4095; 90; 90; 120;

COD ID: 4033282
CIF file	Formula: - C39 H43 N O4 - Comments: Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones. The Journal of organic chemistry (2017) Space group: P 65 Cell volume: 6099.84 Cell parameters: 15.6496; 15.6496; 28.7595; 90; 90; 120;

COD ID: 4033856

Formula: - C21 H27 O2.5 -
Comments: Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H. Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment. The Journal of organic chemistry 84(17) (2019) 11366-11371
Space group: P 65
Cell volume: 2652.26
Cell parameters: 15.6307; 15.6307; 12.5351; 90; 90; 120;

COD ID: 4035636
CIF file	Formula: - C19 H30 O5 - Comments: Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst. The Journal of organic chemistry 83(18) (2018) 11191-11203 Space group: P 65 Cell volume: 2896.39 Cell parameters: 10.6537; 10.6537; 29.4663; 90; 90; 120;

COD ID: 4036618
CIF file	Formula: - C15 H26 O2 - Comments: Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G. Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol. The Journal of organic chemistry 81(5) (2016) 2078-2086 Space group: P 65 Cell volume: 2292.1 Cell parameters: 21.353; 21.353; 5.8048; 90; 90; 120;

COD ID: 4037193

Formula: - C60 H75 N2 O6 -
Comments: Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement. The Journal of organic chemistry 81(22) (2016) 10683-10687
Space group: P 65
Cell volume: 9380.31
Cell parameters: 20.0572; 20.0572; 26.9244; 90; 90; 120;

COD ID: 4037415

Formula: - C26 H28 N4 O6 -
Comments: Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths. The Journal of organic chemistry 81(23) (2016) 11802-11812
Space group: P 65
Cell volume: 4003.95
Cell parameters: 27.8709; 27.8709; 5.9519; 90; 90; 120;

COD ID: 4037578
CIF file	Formula: - C25 H21 F3 N2 O - Comments: Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters. The Journal of organic chemistry 84(12) (2019) 8300-8308 Space group: P 65 Cell volume: 6352 Cell parameters: 9.9188; 9.9188; 74.552; 90; 90; 120;

COD ID: 4038862
CIF file	Formula: - C15 H16 O3 - Comments: Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M Total Synthesis and Structure Revision of (-)-Avicennone C. The Journal of organic chemistry (2020) Space group: P 65 Cell volume: 11309 Cell parameters: 24.0111; 24.0111; 22.65; 90; 90; 120;

COD ID: 4060737
CIF file	Formula: - C56 H51 I O P2 Pd - Comments: Organometallics (2003) Space group: P 65 Cell volume: 9202 Cell parameters: 29.934; 29.934; 11.858; 90; 90; 120;

COD ID: 4060744
CIF file	Formula: - C51 H44 B F24 O P Pd - Comments: Organometallics (2003) Space group: P 65 Cell volume: 8372.2 Cell parameters: 13.0281; 13.0281; 56.9568; 90; 90; 120;

COD ID: 4061862
CIF file	Formula: - C12 H5 N O12 Os4 - Comments: Organometallics (2003) Space group: P 65 Cell volume: 3025 Cell parameters: 8.993; 8.993; 43.19; 90; 90; 120;

COD ID: 4064022

Formula: - C22 H27 N2 S Ta -
Comments: Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety Organometallics 30(6) (2011) 1551
Space group: P 65
Cell volume: 3452.4
Cell parameters: 17.864; 17.864; 12.492; 90; 90; 120;

COD ID: 4065809
CIF file	Formula: - C26 H48.667 Cl Ir P2 - Comments: Punji, Benudhar; Emge, Thomas J.; Goldman, Alan S. A Highly Stable Adamantyl-Substituted Pincer-Ligated Iridium Catalyst for Alkane Dehydrogenation Organometallics 29(12) (2010) 2702 Space group: P 65 Cell volume: 4420.3 Cell parameters: 16.316; 16.316; 19.1731; 90; 90; 120;

COD ID: 4067126

Formula: - C24 H27 Cl Fe I N2 O P -
Comments: Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes Organometallics 29(22) (2010) 6065
Space group: P 65
Cell volume: 3757.6
Cell parameters: 20.232; 20.232; 10.5999; 90; 90; 120;

COD ID: 4073224

Formula: - C17 H21 Cl N2 -
Comments: Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S. Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold Organometallics 26(11) (2007) 2885
Space group: P 65
Cell volume: 2390.7
Cell parameters: 11.6131; 11.6131; 20.469; 90; 90; 120;

COD ID: 4073409

Formula: - C32 H40 S2 Th -
Comments: Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2 Organometallics 26(14) (2007) 3568
Space group: P 65
Cell volume: 4507.5
Cell parameters: 12.6647; 12.6647; 32.45; 90; 90; 120;

COD ID: 4077862
CIF file	Formula: - C22 H16 As I - Comments: Kilah, Nathan L.; Wild, S. Bruce Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion Organometallics 31(7) (2012) 2658 Space group: P 65 Cell volume: 2775.34 Cell parameters: 16.8728; 16.8728; 11.2567; 90; 90; 120;

COD ID: 4077863
CIF file	Formula: - C22 H16 As Cl - Comments: Kilah, Nathan L.; Wild, S. Bruce Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion Organometallics 31(7) (2012) 2658 Space group: P 65 Cell volume: 2703.59 Cell parameters: 16.776; 16.776; 11.0926; 90; 90; 120;

COD ID: 4078236
CIF file	Formula: - C47 H30 Au2 Ir4 O11 P2 - Comments: Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement Organometallics 31(9) (2012) 3588 Space group: P 65 Cell volume: 7511.2 Cell parameters: 13.3377; 13.3377; 48.755; 90; 90; 120;

COD ID: 4078930

Formula: - C65 H88 F6 O7 P4 Pd S2 -
Comments: Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L. Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes Organometallics 31(15) (2012) 5573
Space group: P 65
Cell volume: 10433.2
Cell parameters: 13.446; 13.446; 66.635; 90; 90; 120;

COD ID: 4079068

Formula: - C19 H28 Fe O3 Si2 -
Comments: Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard (“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents Organometallics 31(19) (2012) 6741
Space group: P 65
Cell volume: 3639.21
Cell parameters: 23.4373; 23.4373; 7.65; 90; 90; 120;

COD ID: 4081841

Formula: - C31 H32 Cl N2 Rh -
Comments: Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes Organometallics 32(21) (2013) 6186
Space group: P 65
Cell volume: 4191.8
Cell parameters: 20.5199; 20.5199; 11.4954; 90; 90; 120;

COD ID: 4081846

Formula: - C31 H32 Cl N2 Rh -
Comments: Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks Organometallics 32(21) (2013) 6195
Space group: P 65
Cell volume: 4191.8
Cell parameters: 20.5199; 20.5199; 11.4954; 90; 90; 120;

COD ID: 4082841

Formula: - C27 H38 Cl2 N2 O3 Pd -
Comments: Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity Organometallics 33(7) (2014) 1812
Space group: P 65
Cell volume: 4425.3
Cell parameters: 17.8432; 17.8432; 16.0496; 90; 90; 120;

COD ID: 4085909

Formula: - C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 -
Comments: Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2 Organometallics 34(12) (2015) 2747
Space group: P 65
Cell volume: 6330
Cell parameters: 20.6241; 20.6241; 17.184; 90; 90; 120;

COD ID: 4087445
CIF file	Formula: - C56 H59 I O4 P2 Pd - Comments: Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones Organometallics 34(8) (2015) 1582 Space group: P 65 Cell volume: 7801.6 Cell parameters: 13.4441; 13.4441; 49.8415; 90; 90; 120;

COD ID: 4101211
CIF file	Formula: - C18 H33 N O4 - Comments: Journal of the American Chemical Society (2006) Space group: P 65 Cell volume: 3026.4 Cell parameters: 10.316; 10.316; 32.838; 90; 90; 120;

COD ID: 4101259

Formula: - C9 H18 N2 O4 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 65
Cell volume: 1755.9
Cell parameters: 18.138; 18.138; 6.163; 90; 90; 120;

COD ID: 4105169

Formula: - C30 H53 N5 O8 -
Comments: Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures Journal of the American Chemical Society 131 (2009) 15130-15132
Space group: P 65
Cell volume: 5494.1
Cell parameters: 24.3673; 24.3673; 10.6844; 90; 90; 120;

COD ID: 4105170

Formula: - C29 H51 N5 O9 -
Comments: Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures Journal of the American Chemical Society 131 (2009) 15130-15132
Space group: P 65
Cell volume: 5357.7
Cell parameters: 24.292; 24.292; 10.4838; 90; 90; 120;

COD ID: 4105171

Formula: - C29 H51 N5 O8.17 -
Comments: Upadhyayula S. Raghavender; Subrayashastry Aravinda; Narayanaswamy Shamala; Rajkishor Rai; Padmanabhan Balaram Characterization of Water Wires inside Hydrophobic Tubular Peptide Structures Journal of the American Chemical Society 131 (2009) 15130-15132
Space group: P 65
Cell volume: 5366.62
Cell parameters: 24.3161; 24.3161; 10.4805; 90; 90; 120;

COD ID: 4105219
CIF file	Formula: - C23 H23 Br N2 O P - Comments: Joshua P. Abell; Hisashi Yamamoto Dual-Activation Asymmetric Strecker Reaction of Aldimines and Ketimines Catalyzed by a Tethered Bis(8-quinolinolato) Aluminum Complex Journal of the American Chemical Society 131 (2009) 15118-15119 Space group: P 65 Cell volume: 3493 Cell parameters: 19.943; 19.943; 10.142; 90; 90; 120;

COD ID: 4105512

Formula: - C29 H29 Cl N O5 P S -
Comments: Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids Journal of the American Chemical Society 131 (2009) 18240-18241
Space group: P 65
Cell volume: 4216.44
Cell parameters: 15.97; 15.97; 19.09; 90; 90; 120;

COD ID: 4106673

Formula: - C52 H78 N8 O2 -
Comments: Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones Journal of the American Chemical Society 133 (2011) 13761-13761
Space group: P 65
Cell volume: 7344.5
Cell parameters: 10.7895; 10.7895; 72.85; 90; 90; 120;

COD ID: 4107067
CIF file	Formula: - C11 H15 Cl N2 O4 Zn - Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958 Space group: P 65 Cell volume: 2872.9 Cell parameters: 17.703; 17.703; 10.585; 90; 90; 120;

COD ID: 4107068

Formula: - C11 H15 Br N2 O4 Zn -
Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958
Space group: P 65
Cell volume: 2870.6
Cell parameters: 17.7786; 17.7786; 10.4868; 90; 90; 120;

COD ID: 4107791
CIF file	Formula: - C32 H48 N4 O7 - Comments: Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation Journal of the American Chemical Society 130 (2008) 6544-6550 Space group: P 65 Cell volume: 5048.3 Cell parameters: 11.1738; 11.1738; 46.6887; 90; 90; 120;

COD ID: 4108018

Formula: - C9.33 H11 F2 N2 O4.17 -
Comments: Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State Journal of the American Chemical Society 130 (2008) 9048-9057
Space group: P 65
Cell volume: 3258.8
Cell parameters: 23.159; 23.159; 7.016; 90; 90; 120;

COD ID: 4110544
CIF file	Formula: - C56 H72 Cl6 N6 O9 - Comments: Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns Journal of the American Chemical Society 128 (2006) 4538-4539 Space group: P 65 Cell volume: 9388 Cell parameters: 21.321; 21.321; 23.846; 90; 90; 120;

COD ID: 4114159
CIF file	Formula: - C24 H23 F3 N2 O4 - Comments: Mark S. Taylor; Eric N. Jacobsen Enantioselective Michael Additions to α,β-Unsaturated Imides Catalyzed by a Salen-Al Complex Journal of the American Chemical Society 125 (2003) 11204-11205 Space group: P 65 Cell volume: 3531.5 Cell parameters: 12.5069; 12.5069; 26.069; 90; 90; 120;

COD ID: 4117474

Formula: - C17 H38 B10 Si -
Comments: Shikuo Ren; Zaozao Qiu; Zuowei Xie Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes Journal of the American Chemical Society 134 (2012) 3242-3254
Space group: P 65
Cell volume: 3675.1
Cell parameters: 10.693; 10.693; 37.114; 90; 90; 120;

COD ID: 4118207

Formula: - C41 H35 N O4 S -
Comments: Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines Journal of the American Chemical Society 134 (2012) 10811-10814
Space group: P 65
Cell volume: 4990.1
Cell parameters: 10.7247; 10.7247; 50.097; 90; 90; 120;

COD ID: 4118239

Formula: - C177 H188 Cl3 F3 N32 O25 -
Comments: Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes Journal of the American Chemical Society 134 (2012) 11415-11429
Space group: P 65
Cell volume: 33208.5
Cell parameters: 47.4778; 47.4778; 17.0113; 90; 90; 120;

COD ID: 4118493
CIF file	Formula: - C41.59 H38.99 N1.9 O12.85 S4 Zn2 - Comments: Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 12932-12935 Space group: P 65 Cell volume: 6717.2 Cell parameters: 19.293; 19.293; 20.838; 90; 90; 120;

COD ID: 4119174
CIF file	Formula: - C25 H22 N2 O3 - Comments: Gregory L. Adams; Patrick J. Carroll; Amos B. Smith Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A Journal of the American Chemical Society 135 (2013) 519-528 Space group: P 65 Cell volume: 3014.8 Cell parameters: 11.6957; 11.6957; 25.449; 90; 90; 120;

COD ID: 4120437

Formula: - C44 H44 N20 O3 -
Comments: Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols. Journal of the American Chemical Society 136(2) (2014) 547-549
Space group: P 65
Cell volume: 8832.6
Cell parameters: 11.9083; 11.9083; 71.9218; 90; 90; 120;

COD ID: 4120438

Formula: - C44 H44 N20 O3 -
Comments: Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols. Journal of the American Chemical Society 136(2) (2014) 547-549
Space group: P 65
Cell volume: 8801.3
Cell parameters: 11.8925; 11.8925; 71.857; 90; 90; 120;

COD ID: 4120439

Formula: - C36 H34 N20 O2 -
Comments: Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols. Journal of the American Chemical Society 136(2) (2014) 547-549
Space group: P 65
Cell volume: 8784.4
Cell parameters: 11.8861; 11.8861; 71.796; 90; 90; 120;

COD ID: 4122058

Formula: - C84 H100 F24 N4 O20 -
Comments: Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis. Journal of the American Chemical Society 136(25) (2014) 9190-9194
Space group: P 65
Cell volume: 13733.3
Cell parameters: 25.1348; 25.1348; 25.1011; 90; 90; 120;

COD ID: 4122510

Formula: - C12 H18 La O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2263.92
Cell parameters: 11.005; 11.005; 21.5849; 90; 90; 120;

COD ID: 4122511

Formula: - C12 H18 Ce O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2252.02
Cell parameters: 10.9931; 10.9931; 21.518; 90; 90; 120;

COD ID: 4122512

Formula: - C12 H18 O7 Pr -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2235.35
Cell parameters: 10.9771; 10.9771; 21.421; 90; 90; 120;

COD ID: 4122513

Formula: - C12 H18 Nd O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2229.34
Cell parameters: 10.982; 10.982; 21.3443; 90; 90; 120;

COD ID: 4122514

Formula: - C12 H18 O7 Sm -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2206.09
Cell parameters: 10.955; 10.955; 21.226; 90; 90; 120;

COD ID: 4122516

Formula: - C12 H18 Eu O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2192.84
Cell parameters: 10.942; 10.942; 21.1487; 90; 90; 120;

COD ID: 4122517

Formula: - C12 H18 Gd O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2185.68
Cell parameters: 10.9392; 10.9392; 21.0904; 90; 90; 120;

COD ID: 4122518

Formula: - C12 H18 O7 Tb -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2171.17
Cell parameters: 10.9244; 10.9244; 21.0072; 90; 90; 120;

COD ID: 4122519

Formula: - C12 H18 Dy O7 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2158.03
Cell parameters: 10.908; 10.908; 20.9429; 90; 90; 120;

COD ID: 4122528

Formula: - C12 H19 La0.259 O7 Pr0.741 -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 65
Cell volume: 2222.76
Cell parameters: 10.9487; 10.9487; 21.411; 90; 90; 120;

COD ID: 4123302
CIF file	Formula: - C26 H33 N O3 - Comments: Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries. Journal of the American Chemical Society 137(2) (2015) 656-659 Space group: P 65 Cell volume: 3453 Cell parameters: 12.418; 12.418; 25.856; 90; 90; 120;

COD ID: 4123348

Formula: - C42 H37 Cd2 N2 O13 S4 -
Comments: Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks. Journal of the American Chemical Society 137(5) (2015) 1774-1777
Space group: P 65
Cell volume: 6906.7
Cell parameters: 19.6; 19.6; 20.76; 90; 90; 120;

COD ID: 4123349

Formula: - C40.94 H37.3 Mn2 N1.76 O12.59 S4 -
Comments: Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks. Journal of the American Chemical Society 137(5) (2015) 1774-1777
Space group: P 65
Cell volume: 6788.5
Cell parameters: 19.469; 19.469; 20.6804; 90; 90; 120;

COD ID: 4123467

Formula: - C24 H35 Cl2 Cu N7 O9 -
Comments: Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D. A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity. Journal of the American Chemical Society 137(8) (2015) 2796-2799
Space group: P 65
Cell volume: 4458.53
Cell parameters: 15.05046; 15.05046; 22.728; 90; 90; 120;

COD ID: 4123557

Formula: - C51 H87 B F4 Ni3 S4 -
Comments: Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F. Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4. Journal of the American Chemical Society 137(15) (2015) 4993-5011
Space group: P 65
Cell volume: 8010.4
Cell parameters: 13.5182; 13.5182; 50.6155; 90; 90; 120;

COD ID: 4125977

Formula: - C38 H59 F3 Mo N5 O4 S -
Comments: Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J. Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand. Journal of the American Chemical Society 139(17) (2017) 6110-6113
Space group: P 65
Cell volume: 7411.5
Cell parameters: 16.2897; 16.2897; 32.2513; 90; 90; 120;

COD ID: 4127338

Formula: - C20 H24 O5 -
Comments: Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin. Journal of the American Chemical Society 141(20) (2019) 8372-8380
Space group: P 65
Cell volume: 3086.17
Cell parameters: 13.2016; 13.2016; 20.4473; 90; 90; 120;

COD ID: 4128086

Formula: - C38 H55 I Ni O P2 -
Comments: Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction. Journal of the American Chemical Society 141(4) (2019) 1788-1796
Space group: P 65
Cell volume: 5496.59
Cell parameters: 11.6198; 11.6198; 47.0073; 90; 90; 120;

COD ID: 4128196

Formula: - C193 H136 Au10 Cl4 F12 O6 P8 -
Comments: Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters. Journal of the American Chemical Society 141(6) (2019) 2384-2390
Space group: P 65
Cell volume: 30167.3
Cell parameters: 19.362; 19.362; 92.9191; 90; 90; 120;

COD ID: 4129498
CIF file	Formula: - C23 H20 N O2 P - Comments: Lee, Ansoo; Kim, Hyunwoo Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands. Journal of the American Chemical Society 137(35) (2015) 11250-11253 Space group: P 65 Cell volume: 2779.3 Cell parameters: 9.0398; 9.0398; 39.273; 90; 90; 120;

COD ID: 4130547
CIF file	Formula: - C24 H18 Br N O3 S - Comments: Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates. Journal of the American Chemical Society 138(27) (2016) 8360-8363 Space group: P 65 Cell volume: 3166.1 Cell parameters: 9.4218; 9.4218; 41.184; 90; 90; 120;

COD ID: 4131128
CIF file	Formula: - C11 H13 F3 N4 O3 - Comments: Tian, Maoqun; Yan, Ming; Baran, Phil S. 11-Step Total Synthesis of Araiosamines. Journal of the American Chemical Society 138(43) (2016) 14234-14237 Space group: P 65 Cell volume: 2072.99 Cell parameters: 9.4581; 9.4581; 26.7583; 90; 90; 120;

COD ID: 4132419

Formula: - C27 H22 Cl2 N2 O Pd -
Comments: Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes. Journal of the American Chemical Society 140(24) (2018) 7415-7419
Space group: P 65
Cell volume: 3806.5
Cell parameters: 20.913; 20.913; 10.05; 90; 90; 120;

COD ID: 4132839

Formula: - C52 H44 Cl0 Cu2 F0 N2 P4 -
Comments: Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies. Journal of the American Chemical Society 140(39) (2018) 12521-12526
Space group: P 65
Cell volume: 8931.4
Cell parameters: 25.734; 25.734; 15.573; 90; 90; 120;

COD ID: 4133429

Formula: - C29 H29 N O4 -
Comments: Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes. Journal of the American Chemical Society 140(48) (2018) 16758-16772
Space group: P 65
Cell volume: 3724.42
Cell parameters: 26.7901; 26.7901; 5.9921; 90; 90; 120;

COD ID: 4133657
CIF file	Formula: - C20 H26 N2 O2 - Comments: He, Chi; Stratton, Thomas P.; Baran, Phil S. Concise Total Synthesis of Herqulines B and C. Journal of the American Chemical Society 141(1) (2019) 29-32 Space group: P 65 Cell volume: 2809.1 Cell parameters: 19.5192; 19.5192; 8.5136; 90; 90; 120;

COD ID: 4134000

Formula: - C23 H19 N O -
Comments: Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes. Journal of the American Chemical Society (2020)
Space group: P 65
Cell volume: 5129.3
Cell parameters: 9.4573; 9.4573; 66.22; 90; 90; 120;

COD ID: 4302228

Formula: - C26 H19 Cu2 N3 O9 -
Comments: Maxwell A. Braverman; Joseph H. Nettleman; Ronald M. Supkowski; Robert L. LaDuca Copper Phthalate Coordination Polymers Incorporating Kinked Dipyridyl Ligands: An Unprecedented 8-Connected Network and One-Dimensional Chiral Nanobarrels with Hydrophobic Channels Constructed from Septuple Helical Motifs Inorganic Chemistry 48 (2009) 4918-4926
Space group: P 65
Cell volume: 3907.7
Cell parameters: 27.59; 27.59; 5.9277; 90; 90; 120;

COD ID: 4304862
CIF file	Formula: - C127 H190 N6 O19 S2 Ti3 - Comments: Yuri N. Belokon'; William Clegg; Ross W. Harrington; Michael North; Carl Young In Situ Formation of Heterobimetallic Salen Complexes Containing Titanium and/or Vanadium Ions Inorganic Chemistry 47 (2008) 3801-3814 Space group: P 65 Cell volume: 24692 Cell parameters: 27.38; 27.38; 38.033; 90; 90; 120;

COD ID: 4305363

Formula: - C20 H44 Cl2 O4 Rh2 S4 -
Comments: Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine Inorganic Chemistry 47 (2008) 6502-6512
Space group: P 65
Cell volume: 4715.46
Cell parameters: 21.5055; 21.5055; 11.7732; 90; 90; 120;

COD ID: 4305364

Formula: - C20 H44 Cl2 Ir2 O4 S4 -
Comments: Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine Inorganic Chemistry 47 (2008) 6502-6512
Space group: P 65
Cell volume: 4776.6
Cell parameters: 21.6261; 21.6261; 11.7931; 90; 90; 120;

COD ID: 4307808

Formula: - C18 H11 Ag B F9 N6 -
Comments: H. V. Rasika Dias; Jiang Wu; Xiaoyu Wang; Krishnan Rangan Structural Variations of Silver Ethylene Complexes Supported by Boron-Protected Fluorinated Scorpionates and the Isolation of a Ligand-Directed Silver Helix Inorganic Chemistry 46 (2007) 1960-1962
Space group: P 65
Cell volume: 3520.5
Cell parameters: 19.1456; 19.1456; 11.0901; 90; 90; 120;

COD ID: 4308781
CIF file	Formula: - C28 H32 Fe2 N6 O11 - Comments: Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels Inorganic Chemistry 44 (2005) 1302-1308 Space group: P 65 Cell volume: 5476 Cell parameters: 13.151; 13.151; 36.56; 90; 90; 120;

COD ID: 4311520
CIF file	Formula: - C30 H26 Ag Au B2 F8 N10 - Comments: Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer Inorganic Chemistry 43 (2004) 5714-5724 Space group: P 65 Cell volume: 4901.9 Cell parameters: 13.185; 13.185; 32.5591; 90; 90; 120;

COD ID: 4312678

Formula: - C37 H37 B Br N3 Ni O -
Comments: Suman Mukhopadhyay; Debdas Mandal; Dipesh Ghosh; Israel Goldberg; Muktimoy Chaudhury Equilibrium Studies in Solution Involving Nickel(II) Complexes of Flexidentate Schiff Base Ligands: Isolation and Structural Characterization of the Planar Red and Octahedral Green Species Involved in the Equilibrium Inorganic Chemistry 42 (2003) 8439-8445
Space group: P 65
Cell volume: 4669.63
Cell parameters: 9.729; 9.729; 56.966; 90; 90; 120;

COD ID: 4312853

Formula: - C32 H50 F12 N2 P2 Ru2 S3 -
Comments: Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions Inorganic Chemistry 42 (2003) 96-106
Space group: P 65
Cell volume: 6086
Cell parameters: 11.995; 11.995; 48.844; 90; 90; 120;

COD ID: 4317387

Formula: - C20 H20 B2 F8 N12 Sr -
Comments: Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II) Inorganic Chemistry 41 (2002) 19-27
Space group: P 65
Cell volume: 4259.96
Cell parameters: 9.4253; 9.4253; 55.3713; 90; 90; 120;

COD ID: 4319459

Formula: - C12 H24 Cl2 N4 Ni O3 S -
Comments: Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^ Inorganic Chemistry 40 (2001) 1606-1613
Space group: P 65
Cell volume: 3081.87
Cell parameters: 12.4125; 12.4125; 23.0975; 90; 90; 120;

COD ID: 4321117

Formula: - C22 H18 Cl2 N6 Ru -
Comments: Aldrik H. Velders; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Dick de Vos; Jan Reedijk Strong Differences in the in Vitro Cytotoxicity of Three Isomeric Dichlorobis(2-phenylazopyridine)ruthenium(II) Complexes Inorganic Chemistry 39 (2000) 2966-2967
Space group: P 65
Cell volume: 3663.5
Cell parameters: 22.2928; 22.2928; 8.5121; 90; 90; 120;

COD ID: 4322968
CIF file	Formula: - C10 H18 Co N2 O9 S - Comments: Jian Lu; Carolyn Yu; Tianyan Niu; Tasneem Paliwala; Gerardo Crisci; Fernando Somosa; Allan J. Jacobson One-Dimensional Coordination Polymers of Cobalt with 4,4'-Bipyridine: Syntheses and Structures Inorganic Chemistry 37 (1998) 4637-4640 Space group: P 65 Cell volume: 2365.1 Cell parameters: 11.435; 11.435; 20.886; 90; 90; 120;

COD ID: 4323993
CIF file	Formula: - C41 H36 B N3 O2 Ru - Comments: Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR) Inorganic Chemistry 35 (1996) 7217-7224 Space group: P 65 Cell volume: 5300.3 Cell parameters: 9.7604; 9.7604; 64.244; 90; 90; 120;

COD ID: 4326914
CIF file	Formula: - C4 H9 F6 N4 Ni O7 P - Comments: Ashley M. Wright; Guang Wu; Trevor W. Hayton Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6] Inorganic Chemistry 50 (2011) 11746-11753 Space group: P 65 Cell volume: 2272.43 Cell parameters: 17.4863; 17.4863; 8.5815; 90; 90; 120;

COD ID: 4331322
CIF file	Formula: - C103 H140 Cl8 Dy6 N14 O51 - Comments: Shufang Xue; Xiao-Hua Chen; Lang Zhao; Yun-Nan Guo; Jinkui Tang Two Bulky-Decorated Triangular Dysprosium Aggregates Conserving Vortex-Spin Structure Inorganic Chemistry 51 (2012) 13264-13270 Space group: P 65 Cell volume: 11428 Cell parameters: 22.759; 22.759; 25.477; 90; 90; 120;

COD ID: 4338145
CIF file	Formula: - C27 H30 Cl3 Cu Mn2 N3 O10 - Comments: Shiga, Takuya; Maruyama, Kazuya; Newton, Graham N.; Inglis, Ross; Brechin, Euan K.; Oshio, Hiroki Chiral Single-Chain Magnet: Helically Stacked [Mn(III)2Cu(II)] Triangles. Inorganic chemistry 53(9) (2014) 4272-4274 Space group: P 65 Cell volume: 4921.5 Cell parameters: 17.5632; 17.5632; 18.423; 90; 90; 120;

COD ID: 4341165
CIF file	Formula: - C31 H38.5 Br F6 N4 O2.33 P Pd - Comments: Teng, Qiaoqiao; Huynh, Han Vinh Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy. Inorganic chemistry 53(20) (2014) 10964-10973 Space group: P 65 Cell volume: 5103.1 Cell parameters: 13.0939; 13.0939; 34.369; 90; 90; 120;

COD ID: 4342000
CIF file	Formula: - C26 H32 Cl4 Ga2 N4 - Comments: Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J. Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds. Inorganic chemistry 54(2) (2015) 418-424 Space group: P 65 Cell volume: 5005.7 Cell parameters: 21.986; 21.986; 11.9576; 90; 90; 120;

COD ID: 4348135

Formula: - C18 H13 Er N4 O9 -
Comments: Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta Spin Helicity in Chiral Lanthanide Chains. Inorganic chemistry 55(20) (2016) 10068-10074
Space group: P 65
Cell volume: 2852.35
Cell parameters: 11.152; 11.152; 26.483; 90; 90; 120;

COD ID: 4348136

Formula: - C18 H13 Dy0.12 N4 O9 Y0.88 -
Comments: Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta Spin Helicity in Chiral Lanthanide Chains. Inorganic chemistry 55(20) (2016) 10068-10074
Space group: P 65
Cell volume: 2871.8
Cell parameters: 11.1664; 11.1664; 26.5948; 90; 90; 120;

COD ID: 4348943

Formula: - C32 H26 Cu2 N4 O14 -
Comments: Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure. Inorganic chemistry 55(24) (2016) 12669-12674
Space group: P 65
Cell volume: 5045.12
Cell parameters: 11.055; 11.055; 47.6676; 90; 90; 120;

COD ID: 4500055
CIF file	Formula: - C54 H40 B N O4 - Comments: Tao Tu; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL) Cryst. Growth & Design 8 (2008) 1541-1546 Space group: P 65 Cell volume: 9137.7 Cell parameters: 24.969; 24.969; 16.924; 90; 90; 120;

COD ID: 4500244
CIF file	Formula: - C21 H40 Fe N10 Ni O3 - Comments: Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties Crystal Growth & Design 11(1) (2011) 302 Space group: P 65 Cell volume: 5067.18 Cell parameters: 19.2182; 19.2182; 15.842; 90; 90; 120;

COD ID: 4502508

Formula: - C15 H13 Cl2 Cu N7 O -
Comments: Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand† Crystal Growth & Design 10(4) (2010) 1715
Space group: P 65
Cell volume: 2711.07
Cell parameters: 8.324; 8.324; 45.18; 90; 90; 120;

COD ID: 4503012
CIF file	Formula: - C21 H39 N4 O12 P3 S3 - Comments: Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R. Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer. Crystal growth & design 12(2) (2012) 567-571 Space group: P 65 Cell volume: 4705.9 Cell parameters: 9.2366; 9.2366; 63.693; 90; 90; 120;

COD ID: 4503871
CIF file	Formula: - C6 H2 Br N3 O6 - Comments: Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J. Polymorphs of Picryl Bromide Crystal Growth & Design 8(1) (2008) 57 Space group: P 65 Cell volume: 4323.69 Cell parameters: 14.8812; 14.8812; 22.5449; 90; 90; 120;

COD ID: 4507726
CIF file	Formula: - C46 H32 N4 O7 Zn - Comments: Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates Crystal Growth & Design 13(5) (2013) 2111 Space group: P 65 Cell volume: 5955 Cell parameters: 13.5717; 13.5717; 37.332; 90; 90; 120;

COD ID: 4509833

Formula: - C22 H24 N2 O6 -
Comments: Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J. One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis. ACS catalysis 4(2) (2014) 634-638
Space group: P 65
Cell volume: 3092.76
Cell parameters: 9.8241; 9.8241; 37.0024; 90; 90; 120;

COD ID: 4510154
CIF file	Formula: - C4 H10 N2 O20 U3 - Comments: de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z. Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials Crystal Growth & Design 14(3) (2014) 1357 Space group: P 65 Cell volume: 3636.6 Cell parameters: 18.4129; 18.4129; 12.3856; 90; 90; 120;

COD ID: 4511515
CIF file	Formula: - C7 H6 N2 O4 - Comments: Babu, N. Jagadeesh; Nangia, Ashwini MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid Crystal Growth & Design 6(9) (2006) 1995 Space group: P 65 Cell volume: 3537.5 Cell parameters: 13.6919; 13.6919; 21.789; 90; 90; 120;

COD ID: 4511516
CIF file	Formula: - C7 H6 N2 O4 - Comments: Babu, N. Jagadeesh; Nangia, Ashwini MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid Crystal Growth & Design 6(9) (2006) 1995 Space group: P 65 Cell volume: 3466.3 Cell parameters: 13.6937; 13.6937; 21.345; 90; 90; 120;

COD ID: 4511517
CIF file	Formula: - C7 H6 N2 O4 - Comments: Babu, N. Jagadeesh; Nangia, Ashwini MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid Crystal Growth & Design 6(9) (2006) 1995 Space group: P 65 Cell volume: 3465.1 Cell parameters: 13.6974; 13.6974; 21.3258; 90; 90; 120;

COD ID: 4511750

Formula: - C18 H13 Eu N4 O9 -
Comments: Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand Crystal Growth & Design 14(9) (2014) 4729
Space group: P 65
Cell volume: 2902.37
Cell parameters: 11.1955; 11.1955; 26.7384; 90; 90; 120;

COD ID: 4513432
CIF file	Formula: - C7 H3 N O7.33 U - Comments: Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z. Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake Crystal Growth & Design 15(8) (2015) 4062 Space group: P 65 Cell volume: 1698.26 Cell parameters: 14.5783; 14.5783; 9.227; 90; 90; 120;

COD ID: 4514615

Formula: - C20 H17 N3 O Pd -
Comments: Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution ACS Catalysis 9(10) (2019) 9606
Space group: P 65
Cell volume: 2848.31
Cell parameters: 22.1057; 22.1057; 6.7305; 90; 90; 120;

COD ID: 4516160
CIF file	Formula: - C4 H12 I3 P Pb - Comments: Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega 3(12) (2018) 17077-17082 Space group: P 65 Cell volume: 2071.5 Cell parameters: 10.0382; 10.0382; 23.738; 90; 90; 120;

COD ID: 4516420
CIF file	Formula: - C23 H10 N0 O10 Zn2 - Comments: Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity Crystal Growth & Design 15(11) (2015) 5382 Space group: P 65 Cell volume: 6842 Cell parameters: 12.399; 12.399; 51.391; 90; 90; 120;

COD ID: 4517545

Formula: - In2 Se3 -
Comments: Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping Hexagonal In2Se3: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe5 Unit. ACS applied materials & interfaces (2020)
Space group: P 65
Cell volume: 852.12
Cell parameters: 7.1231; 7.1231; 19.3925; 90; 90; 120;

COD ID: 4518423

Formula: - C23 H27 N O4 S -
Comments: Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives ACS Catalysis (2021) 1827-1832
Space group: P 65
Cell volume: 3199.57
Cell parameters: 9.7067; 9.7067; 39.2119; 90; 90; 120;

COD ID: 4518826
CIF file	Formula: - C16 H19 Br Mn N3 O3 - Comments: Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis 11(13) (2021) 8033-8041 Space group: P 65 Cell volume: 5565.2 Cell parameters: 10.2602; 10.2602; 61.043; 90; 90; 120;

COD ID: 7009553

Formula: - C32 H41 Cl2 Co2 N7 O10 -
Comments: Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi Dinuclear CoIIMII (M = Pb or Co) complexes having a “Co(salen)” entity in a macrocyclic framework: ligand modulation effect and neighboring metal(II) effect upon oxygenation at the “Co(salen)” center Journal of the Chemical Society, Dalton Transactions (issue 16) (2000) 2761
Space group: P 65
Cell volume: 5702
Cell parameters: 13.563; 13.56; 35.8; 90; 90; 120;

COD ID: 7012178

Formula: - C32 H32 Fe N2 O6 -
Comments: van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides Dalton Transactions (issue 2) (2003) 210
Space group: P 65
Cell volume: 4478.4
Cell parameters: 22.332; 22.332; 10.369; 90; 90; 120;

COD ID: 7027198

Formula: - C11 H27 Co N6 O6 -
Comments: Angus, Patricia M.; Elliott, Anthony J.; Sargeson, Alan M.; Willis, Anthony C. Synthesis and properties of cobalt(III) complexes of tripodal ligands containing amide functional groups Journal of the Chemical Society, Dalton Transactions (issue 7) (1999) 1131
Space group: P 65
Cell volume: 2448.1
Cell parameters: 8.04; 8.04; 43.73; 90; 90; 120;

COD ID: 7029604

Formula: - C12 H16 Cl2 Fe N2 O2 -
Comments: Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M. Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications. Dalton transactions (Cambridge, England : 2003) 43(18) (2014) 6769-6785
Space group: P 65
Cell volume: 2163.32
Cell parameters: 8.3897; 8.3897; 35.4893; 90; 90; 120;

COD ID: 7032045

Formula: - C45 H53 Cl2 N2 Pd Sb -
Comments: Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions. Dalton transactions (Cambridge, England : 2003) 43(37) (2014) 14114-14122
Space group: P 65
Cell volume: 7300
Cell parameters: 25.982; 25.982; 12.486; 90; 90; 120;

COD ID: 7033206

Formula: - C56 H59 I O4 P2 Pd -
Comments: Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 1258-1263
Space group: P 65
Cell volume: 7801.6
Cell parameters: 13.4441; 13.4441; 49.8415; 90; 90; 120;

COD ID: 7034087

Formula: - C18 H13 Dy N4 O9 -
Comments: Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid). Dalton transactions (Cambridge, England : 2003) 44(13) (2015) 6169-6174
Space group: P 65
Cell volume: 2887.5
Cell parameters: 11.1993; 11.1993; 26.5836; 90; 90; 120;

COD ID: 7034280
CIF file	Formula: - C46 H38 N6 Ni S2 - Comments: Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R. Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility. Dalton transactions (Cambridge, England : 2003) 44(15) (2015) 6863-6870 Space group: P 65 Cell volume: 6019.9 Cell parameters: 10.839; 10.839; 59.167; 90; 90; 120;

COD ID: 7037942

Formula: - C19.5 H37 Cl6 N P2 Pt -
Comments: Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H. Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation. Dalton transactions (Cambridge, England : 2003) 45(5) (2016) 2294-2307
Space group: P 65
Cell volume: 4128.99
Cell parameters: 16.7268; 16.7268; 17.0407; 90; 90; 120;

COD ID: 7040271

Formula: - C18 H21 F12 Fe N7 S3 Sb2 -
Comments: Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature. Dalton transactions (Cambridge, England : 2003) 45(36) (2016) 14023-14029
Space group: P 65
Cell volume: 4381.9
Cell parameters: 10.0709; 10.0709; 49.888; 90; 90; 120;

COD ID: 7040538

Formula: - C40 H33 Cl O2 P Rh -
Comments: Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J. A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations. Dalton transactions (Cambridge, England : 2003) 45(39) (2016) 15660-15670
Space group: P 65
Cell volume: 4672.6
Cell parameters: 10.4774; 10.4774; 49.1495; 90; 90; 120;

COD ID: 7042272

Formula: - C18 H13 Ho N4 O9 -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 65
Cell volume: 2897.8
Cell parameters: 11.2387; 11.2387; 26.491; 90; 90; 120;

COD ID: 7042275

Formula: - C18 H13 N4 O9 Tb -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 65
Cell volume: 2933.89
Cell parameters: 11.2771; 11.2771; 26.639; 90; 90; 120;

COD ID: 7042277

Formula: - C18 H13 Eu N4 O9 -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 65
Cell volume: 2957
Cell parameters: 11.309; 11.309; 26.697; 90; 90; 120;

COD ID: 7042278

Formula: - C18 H13 N4 Nd O9 -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 65
Cell volume: 2974.04
Cell parameters: 11.3285; 11.3285; 26.7591; 90; 90; 120;

COD ID: 7044896

Formula: - C33 H43 N3 O3 -
Comments: Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R. Indirect evidence for a NiIII-oxyl oxidant in the reaction of a NiII complex with peracid. Dalton transactions (Cambridge, England : 2003) 47(1) (2017) 246-250
Space group: P 65
Cell volume: 4571.2
Cell parameters: 8.7435; 8.7435; 69.045; 90; 90; 120;

COD ID: 7049594

Formula: - C29 H34 Cl2 F6 Fe N6 O6 S2 -
Comments: Mitra, Mainak; Cusso, Olaf; Bhat, Satish S.; Sun, Mingzhe; Cianfanelli, Marco; Costas, Miquel; Nordlander, Ebbe Highly enantioselective epoxidation of olefins by H2O2 catalyzed by a non-heme Fe(ii) catalyst of a chiral tetradentate ligand. Dalton transactions (Cambridge, England : 2003) 48(18) (2019) 6123-6131
Space group: P 65
Cell volume: 5332.4
Cell parameters: 10.8264; 10.8264; 52.532; 90; 90; 120;

COD ID: 7057136

Formula: - C17 H18 Cl N O2 Pd Te -
Comments: Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J. Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands New Journal of Chemistry 42(8) (2018) 6264
Space group: P 65
Cell volume: 3036.8
Cell parameters: 12.3508; 12.3508; 22.9876; 90; 90; 120;

COD ID: 7057960
CIF file	Formula: - C15 H11 Cl2 N3 O4 S - Comments: Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R. Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines New Journal of Chemistry 43(1) (2019) 130 Space group: P 65 Cell volume: 2502.99 Cell parameters: 23.75; 23.75; 5.1239; 90; 90; 120;

COD ID: 7058326

Formula: - C23 H36 B Br N2 O2 -
Comments: Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S. New molecular design for blue BODIPYs New Journal of Chemistry 43(19) (2019) 7233
Space group: P 65
Cell volume: 3538.73
Cell parameters: 9.6838; 9.6838; 43.5738; 90; 90; 120;

COD ID: 7100113
CIF file	Formula: - C9.17 H18.26 N2.08 O4 - Comments: C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications (2005) Space group: P 65 Cell volume: 1754.96 Cell parameters: 18.1402; 18.1402; 6.1582; 90; 90; 120;

COD ID: 7100114
CIF file	Formula: - C9 H18 N2 O4 - Comments: C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications (2005) Space group: P 65 Cell volume: 1749.66 Cell parameters: 18.1253; 18.1253; 6.1497; 90; 90; 120;

COD ID: 7100115
CIF file	Formula: - C9 H18 I0.07 N2 O4 - Comments: C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications (2005) Space group: P 65 Cell volume: 1754.97 Cell parameters: 18.147; 18.147; 6.1536; 90; 90; 120;

COD ID: 7100357
CIF file	Formula: - C27 H40 N4 O9 - Comments: Arindam Banerjee; Apurba Kumar Das; Debasish Haldar; Raghurama P. Hegde; N. Shamala X-ray crystallographic signature of supramolecular triple helix formation from a water soluble synthetic tetrapeptide Chemical Communications (2005) Space group: P 65 Cell volume: 4344 Cell parameters: 8.807; 8.807; 64.67; 90; 90; 120;

COD ID: 7101184

Formula: - C41 H73 N3 O9 -
Comments: Bhattarai, Khadga M.; del Amo, Vicente; Magro, Germinal; Sisson, Adam L.; Joos, Jean-Baptiste; Charmant, Jonathan P. H.; Kantacha, Anob; Davis, Anthony P. The "triamino-analogue" of methyl allocholate; a rigid, functionalised scaffold for supramolecular chemistry Chemical Communications (Cambridge, United Kingdom) (issue 22) (2006) 2335-2337
Space group: P 65
Cell volume: 7247
Cell parameters: 27.007; 27.007; 11.473; 90; 90; 120;

COD ID: 7102500
CIF file	Formula: - C29 H27 O2 P S - Comments: Korff, Christian; Helmchen, Gunter Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling. Chemical communications (Cambridge, England) (issue 5) (2004) 530-531 Space group: P 65 Cell volume: 3663.5 Cell parameters: 10.9348; 10.9348; 35.379; 90; 90; 120;

COD ID: 7103082
CIF file	Formula: - C26 H34.33 N2 O5.17 Ru - Comments: Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao A new NCN pincer ruthenium complex and its catalytic activity for enantioselective hydrogenation of ketones. Chemical communications (Cambridge, England) (issue 16) (2008) 1923-1925 Space group: P 65 Cell volume: 4192 Cell parameters: 21.191; 21.191; 10.778; 90; 90; 120;

COD ID: 7103398
CIF file	Formula: - C30 H18 Cl9 I3 O6 - Comments: Pigge, F Christopher; Vangala, Venu R; Kapadia, Pradeep P; Swenson, Dale C; Rath, Nigam P Hexagonal crystalline inclusion complexes of 4-iodophenoxy trimesoate. Chemical communications (Cambridge, England) (issue 39) (2008) 4726-4728 Space group: P 65 Cell volume: 5770.9 Cell parameters: 16.3917; 16.3917; 24.8007; 90; 90; 120;

COD ID: 7104454

Formula: - C46 H76 N2 O4 Zr -
Comments: Sergeeva, Ekaterina; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe Salan ligands assembled around chiral bipyrrolidine: predetermination of chirality around octahedral Ti and Zr centres. Chemical communications (Cambridge, England) 34(21) (2009) 3053-3055
Space group: P 65
Cell volume: 7493.3
Cell parameters: 23.4652; 23.4652; 15.7143; 90; 90; 120;

COD ID: 7106159
CIF file	Formula: - C22 H32 I O10.5 - Comments: Morifumi Fujita; Mikimasa Wakita; Takashi Sugimura Enantioselective Prevost and Woodward reactions using chiral hypervalent iodine(III): switchover of stereochemical course of an optically active 1,3-dioxolan-2-yl cation Chem.Commun. 47 (2011) 3983 Space group: P 65 Cell volume: 4062 Cell parameters: 23.3688; 23.3688; 8.5888; 90; 90; 120;

COD ID: 7106768
CIF file	Formula: - C68 H62 Cu2 N2 O14 - Comments: Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing Chem.Commun. 47 (2011) 9402 Space group: P 65 Cell volume: 12875 Cell parameters: 18.6018; 18.6018; 42.963; 90; 90; 120;

COD ID: 7107967
CIF file	Formula: - C84 H102 Fe3 I N27 Ni2 - Comments: Makoto Tadokoro; Yasuko Tanaka; Khoichiro Noguchi; Tomoaki Sugaya; Kyosuke Isoda Molecular cable-like 1-D iodic spiral chains covered with triple helices stabilized in guest-included chiral porous framework Chem.Commun. 48 (2012) 7155 Space group: P 65 Cell volume: 13186.9 Cell parameters: 18.0024; 18.0024; 46.984; 90; 90; 120;

COD ID: 7108514
CIF file	Formula: - C46 H34 Co N4 O7 - Comments: Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis Chem.Commun. 48 (2012) 10757 Space group: P 65 Cell volume: 5818.6 Cell parameters: 13.5091; 13.5091; 36.8157; 90; 90; 120;

COD ID: 7109274

Formula: - C27 H25 Br N2 O5 -
Comments: Maria Gonzalez-Esguevillas; Javier Adrio; Juan C. Carretero Enantioselective synthesis of 4-aminopyrrolidine-2,4-dicarboxylate derivatives via Ag-catalyzed cycloaddition of azomethine ylides with alkylidene azlactones Chem.Commun. 49 (2013) 4649
Space group: P 65
Cell volume: 3760.08
Cell parameters: 14.0226; 14.0226; 22.0805; 90; 90; 120;

COD ID: 7109499
CIF file	Formula: - C33 H35 Ir N5 O2 - Comments: David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes Chem.Commun. 49 (2013) 6546 Space group: P 65 Cell volume: 4202 Cell parameters: 19.805; 19.805; 12.37; 90; 90; 120;

COD ID: 7111297
CIF file	Formula: - C24 H32 Cr O5 Si - Comments: Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes Chemical Communications (issue 23) (2003) 2866 Space group: P 65 Cell volume: 3720.98 Cell parameters: 10.4375; 10.4375; 39.4397; 90; 90; 120;

COD ID: 7112410
CIF file	Formula: - C22 H22 N4 O6 - Comments: Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam. Chemical communications (Cambridge, England) 49(81) (2013) 9329-9331 Space group: P 65 Cell volume: 3562.5 Cell parameters: 19.467; 19.467; 10.8548; 90; 90; 120;

COD ID: 7115009
CIF file	Formula: - C19 H23 N2 O - Comments: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives Chemical Communications (issue 14) (2001) 1240 Space group: P 65 Cell volume: 2597 Cell parameters: 10.329; 10.329; 28.108; 90; 90; 120;

COD ID: 7115774
CIF file	Formula: - C17 H21 N O3 - Comments: Dilip V. Patil; Hyun-Sub Park; Jaeyoung Koo; Jin Wook Han; Seunghoon Shin Aerobic oxygenative cleavage of electron deficient C-C triple bonds in the gold-catalyzed cyclization of 1,6-enynes Chem.Commun. 50 (2014) 12722 Space group: P 65 Cell volume: 2333.1 Cell parameters: 11.2648; 11.2648; 21.2304; 90; 90; 120;

COD ID: 7120519
CIF file	Formula: - C12 H6 O3 - Comments: Ferreira, Renan B.; Figueroa, Jose M.; Fagnani, Danielle E.; Abboud, Khalil A.; Castellano, Ronald K. Benzotrifuran (BTFuran): a building block for π-conjugated systems Chem. Commun. (2017) Space group: P 65 Cell volume: 1289.87 Cell parameters: 8.7768; 8.7768; 19.3349; 90; 90; 120;

COD ID: 7121633

Formula: - C22 H28 O4 -
Comments: Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism. Chemical communications (Cambridge, England) 54(46) (2018) 5851-5854
Space group: P 65
Cell volume: 2781.31
Cell parameters: 9.0951; 9.0951; 38.8243; 90; 90; 120;

COD ID: 7126979

Formula: - C8 H10 Br N O4 Pb S -
Comments: Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks. Chemical communications (Cambridge, England) 56(69) (2020) 10078-10081
Space group: P 65
Cell volume: 1932.3
Cell parameters: 10.1079; 10.1079; 21.838; 90; 90; 120;

COD ID: 7127429
CIF file	Formula: - C22 H36 Cl2 Co2 N10 O8 - Comments: Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes. Chemical communications (Cambridge, England) 56(94) (2020) 14841-14844 Space group: P 65 Cell volume: 5319.5 Cell parameters: 20.399; 20.399; 14.7613; 90; 90; 120;

COD ID: 7128851
CIF file	Formula: - C36 H47 F6 N9 Ni O5 S2 - Comments: Pandey, Pragati; Bera, Jitendra K. Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex. Chemical communications (Cambridge, England) 57(73) (2021) 9204-9207 Space group: P 65 Cell volume: 7843.5 Cell parameters: 23.6705; 23.6705; 16.1646; 90; 90; 120;

COD ID: 7129706
CIF file	Formula: - C22 H24 Br N O - Comments: Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers Chemical Communications (2022) Space group: P 65 Cell volume: 3177.8 Cell parameters: 12.716; 12.716; 22.693; 90; 90; 120;

COD ID: 7132576
CIF file	Formula: - C50.56 H53.12 N6 O4.28 - Comments: Hokimoto, Yuya; Nakamura, Takashi Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion. Chemical communications (Cambridge, England) 60(10) (2024) 1281-1284 Space group: P 65 Cell volume: 6845.2 Cell parameters: 18.9446; 18.9446; 22.0233; 90; 90; 120;

COD ID: 7151430

Formula: - C30 H39 N3 O6 S3 -
Comments: Stones, Graham; Argouarch, Gilles; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L. The synthesis of an isopropyl substituted 1,4,7-triazacyclononane via an in situ sequential macrocyclisation method Organic & Biomolecular Chemistry 1(13) (2003) 2357
Space group: P 65
Cell volume: 5124.8
Cell parameters: 19.555; 19.555; 15.475; 90; 90; 120;

COD ID: 7151865

Formula: - C19 H18 Br N3 O6 -
Comments: Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E. Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds. Organic & biomolecular chemistry 9(10) (2011) 3920-3928
Space group: P 65
Cell volume: 4333.24
Cell parameters: 27.8075; 27.8075; 6.4708; 90; 90; 120;

COD ID: 7151988
CIF file	Formula: - C23 H22 N2 O4 - Comments: Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L. Spirocyclic systems derived from pyroglutamic acid. Organic & biomolecular chemistry 9(20) (2011) 7042-7056 Space group: P 65 Cell volume: 3075.02 Cell parameters: 9.7445; 9.7445; 37.3937; 90; 90; 120;

COD ID: 7152658

Formula: - C25 H31 N O9 -
Comments: Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes. Organic & biomolecular chemistry 10(44) (2012) 8794-8799
Space group: P 65
Cell volume: 3989.6
Cell parameters: 18.8854; 18.8854; 12.9167; 90; 90; 120;

COD ID: 7152800

Formula: - C24 H31 N3 O4 S -
Comments: Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A. Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue. Organic & biomolecular chemistry 11(6) (2013) 975-983
Space group: P 65
Cell volume: 3741.1
Cell parameters: 12.3417; 12.3417; 28.361; 90; 90; 120;

COD ID: 7153798

Formula: - C21 H24 F N O2 S -
Comments: Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines. Organic & biomolecular chemistry 12(26) (2014) 4620-4627
Space group: P 65
Cell volume: 3418.3
Cell parameters: 16.1494; 16.1494; 15.1345; 90; 90; 120;

COD ID: 7154132

Formula: - C39 H41 N3 O12 -
Comments: Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold. Organic & biomolecular chemistry 12(47) (2014) 9644-9649
Space group: P 65
Cell volume: 5627
Cell parameters: 12.38; 12.38; 42.393; 90; 90; 120;

COD ID: 7155584

Formula: - C21 H32 N2 O5 -
Comments: Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation Org. Biomol. Chem. (2017)
Space group: P 65
Cell volume: 13637.9
Cell parameters: 25.1584; 25.1584; 24.8801; 90; 90; 120;

COD ID: 7155596

Formula: - C15 H15 Cl O5 -
Comments: Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes Org. Biomol. Chem. (2017)
Space group: P 65
Cell volume: 2432.7
Cell parameters: 15.8422; 15.8422; 11.1926; 90; 90; 120;

COD ID: 7157793
CIF file	Formula: - C70 H92 O26 - Comments: Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil Organic & Biomolecular Chemistry 18(45) (2020) 9268-9274 Space group: P 65 Cell volume: 9907.06 Cell parameters: 11.0913; 11.0913; 92.9928; 90; 90; 120;

COD ID: 7158531

Formula: - C25 H42 O4 -
Comments: Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas Synthesis of 12β-methyl-18-nor-avicholic acid analogues as potential TGR5 agonists. Organic & biomolecular chemistry 20(17) (2022) 3511-3527
Space group: P 65
Cell volume: 5585.2
Cell parameters: 32.26794; 32.26794; 6.19392; 90; 90; 120;

COD ID: 7158602

Formula: - C16 H26 N2 O3 S -
Comments: Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V. A stereochemical journey around spirocyclic glutamic acid analogs Organic & Biomolecular Chemistry (2022)
Space group: P 65
Cell volume: 2773
Cell parameters: 11.311; 11.311; 25.025; 90; 90; 120;

COD ID: 7206668

Formula: - C12 H19 Gd O7 -
Comments: Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures CrystEngComm 13(22) (2011) 6827
Space group: P 65
Cell volume: 2184.27
Cell parameters: 10.9374; 10.9374; 21.0837; 90; 90; 120;

COD ID: 7206669

Formula: - C12 H19 O7 Tb -
Comments: Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures CrystEngComm 13(22) (2011) 6827
Space group: P 65
Cell volume: 2161.99
Cell parameters: 10.9106; 10.9106; 20.9713; 90; 90; 120;

COD ID: 7206670

Formula: - C12 H19 Eu O7 -
Comments: Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures CrystEngComm 13(22) (2011) 6827
Space group: P 65
Cell volume: 2193.62
Cell parameters: 10.9445; 10.9445; 21.1465; 90; 90; 120;

COD ID: 7206671

Formula: - C12 H19 Dy O7 -
Comments: Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures CrystEngComm 13(22) (2011) 6827
Space group: P 65
Cell volume: 2151.69
Cell parameters: 10.8956; 10.8956; 20.9289; 90; 90; 120;

COD ID: 7207103
CIF file	Formula: - C13 H11 Cd N O6 - Comments: Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand CrystEngComm 14(1) (2012) 63 Space group: P 65 Cell volume: 1968.1 Cell parameters: 10.5423; 10.5423; 20.448; 90; 90; 120;

COD ID: 7207105
CIF file	Formula: - C13 H11 N O6 Zn - Comments: Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand CrystEngComm 14(1) (2012) 63 Space group: P 65 Cell volume: 1843.2 Cell parameters: 10.2531; 10.2531; 20.2456; 90; 90; 120;

COD ID: 7209920
CIF file	Formula: - C63 H72 Cd3 K3 N3 O30 - Comments: Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains CrystEngComm 15(26) (2013) 5201 Space group: P 65 Cell volume: 10394.3 Cell parameters: 20.5909; 20.5909; 28.3082; 90; 90; 120;

COD ID: 7213660

Formula: - C15 H13 N Na2 O5 -
Comments: Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties CrystEngComm 16(10) (2014) 1985
Space group: P 65
Cell volume: 2497.36
Cell parameters: 18.2186; 18.2186; 8.688; 90; 90; 120;

COD ID: 7214921

Formula: - C37 H68 Ca Cl2 N20 O29 -
Comments: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril CrystEngComm 14(23) (2012) 8049
Space group: P 65
Cell volume: 8720
Cell parameters: 14.7327; 14.7327; 46.389; 90; 90; 120;

COD ID: 7220028
CIF file	Formula: - C21 H27 N3 O9 - Comments: Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight RSC Adv. (2015) Space group: P 65 Cell volume: 10577.9 Cell parameters: 23.9467; 23.9467; 21.2999; 90; 90; 120;

COD ID: 7223836
CIF file	Formula: - C27 H44 O - Comments: Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability CrystEngComm 18(7) (2016) 1101 Space group: P 65 Cell volume: 4108.6 Cell parameters: 28.2798; 28.2798; 5.9321; 90; 90; 120;

COD ID: 7230567

Formula: - C17 H13 Br2 N O2 S -
Comments: Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R. “Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether CrystEngComm 20(23) (2018) 3218
Space group: P 65
Cell volume: 2599.7
Cell parameters: 9.643; 9.643; 32.282; 90; 90; 120;

COD ID: 7230740

Formula: - C15 H14 O3 -
Comments: Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J. Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®) Green Chemistry 20(19) (2018) 4423
Space group: P 65
Cell volume: 7291.3
Cell parameters: 13.5583; 13.5583; 45.7998; 90; 90; 120;

COD ID: 7234639
CIF file	Formula: - C10 H9 N3 - Comments: Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule Journal of Materials Chemistry C 4 (2016) 2931-2935 Space group: P 65 Cell volume: 1457.6 Cell parameters: 18.26; 18.26; 5.0477; 90; 90; 120;

COD ID: 7237088
CIF file	Formula: - C5 H6 Cu O6 - Comments: Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers CrystEngComm 20(46) (2018) 7464 Space group: P 65 Cell volume: 1227.94 Cell parameters: 11.5965; 11.5965; 10.5437; 90; 90; 120;

COD ID: 7238581

Formula: - C36 H58 Dy N23 O32 -
Comments: Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution RSC Advances 2(8) (2012) 3217
Space group: P 65
Cell volume: 8424.4
Cell parameters: 14.531; 14.531; 46.07; 90; 90; 120;

COD ID: 7239867

Formula: - C15 H14 N2 O4 S -
Comments: Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Asiri, Abdullah M. The synthesis and application of (E)-N′-(benzo[d]dioxol-5-ylmethylene)-4-methyl-benzenesulfonohydrazide for the detection of carcinogenic lead RSC Advances 10(9) (2020) 5316-5327
Space group: P 65
Cell volume: 2363.87
Cell parameters: 11.4162; 11.4162; 20.9435; 90; 90; 120;

COD ID: 7240692

Formula: - C19 H20 N4 O -
Comments: Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A. Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study RSC Advances 10(38) (2020) 22397-22416
Space group: P 65
Cell volume: 2495.17
Cell parameters: 9.8466; 9.8466; 29.7164; 90; 90; 120;

COD ID: 7242908
CIF file	Formula: - C25 H35 N O5 - Comments: Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao 3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae RSC Advances 11(31) (2021) 18827-18831 Space group: P 65 Cell volume: 3554.36 Cell parameters: 17.676; 17.676; 13.136; 90; 90; 120;

COD ID: 7243905
CIF file	Formula: - C108 H84 N18 O36 Zn3 - Comments: Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm 23(48) (2021) 8546-8552 Space group: P 65 Cell volume: 18373 Cell parameters: 15.4575; 15.4575; 88.791; 90; 90; 120;

COD ID: 7243907
CIF file	Formula: - C108 H88 N18 O38 Zn3 - Comments: Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm 23(48) (2021) 8546-8552 Space group: P 65 Cell volume: 17215.7 Cell parameters: 15.3498; 15.3498; 84.37; 90; 90; 120;

COD ID: 7244208

Formula: - C10 H28 F12 Mn N6 P2 -
Comments: Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm 24(6) (2022) 1218-1236
Space group: P 65
Cell volume: 3209
Cell parameters: 9.1983; 9.1983; 43.795; 90; 90; 120;

COD ID: 7247361
CIF file	Formula: - C10 H13 Cd N O5 - Comments: Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K. Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects CrystEngComm 25(38) (2023) 5428-5435 Space group: P 65 Cell volume: 1719.96 Cell parameters: 9.3938; 9.3938; 22.5064; 90; 90; 120;

COD ID: 7248340

Formula: - C14 H26 N2 O5 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 2993.1
Cell parameters: 11.2868; 11.2868; 27.13; 90; 90; 120;

COD ID: 7248341

Formula: - C14.25 H26 N2 O5.51 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 2957.9
Cell parameters: 11.239; 11.239; 27.0392; 90; 90; 120;

COD ID: 7248342

Formula: - C14 H26 N2 O5 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 2955.6
Cell parameters: 11.2333; 11.2333; 27.046; 90; 90; 120;

COD ID: 7248343

Formula: - C16 H30 N2 O5 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 3071.3
Cell parameters: 11.3887; 11.3887; 27.3424; 90; 90; 120;

COD ID: 7248344

Formula: - C17 H32 N2 O5 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 3194.8
Cell parameters: 11.4929; 11.4929; 27.9288; 90; 90; 120;

COD ID: 7248345

Formula: - C14 H26 N2 O5 S -
Comments: Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis CrystEngComm 26(17) (2024) 2314-2321
Space group: P 65
Cell volume: 2921.6
Cell parameters: 11.1876; 11.1876; 26.9537; 90; 90; 120;

COD ID: 7704241
CIF file	Formula: - C64 H71 B F15 N3 O Si2 - Comments: Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene. Dalton transactions (Cambridge, England : 2003) 49(21) (2020) 7060-7068 Space group: P 65 Cell volume: 9771.3 Cell parameters: 21.649; 21.649; 24.0739; 90; 90; 120;

COD ID: 7706802
CIF file	Formula: - C17 H26 Au Cl3 N2 O - Comments: Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne Studies on gold(I) and gold(III) alcohol functionalised NHC complexes. Dalton transactions (Cambridge, England : 2003) 50(15) (2021) 5128-5138 Space group: P 65 Cell volume: 3316.6 Cell parameters: 15.7581; 15.7581; 15.4225; 90; 90; 120;

COD ID: 7706979