Search results

Formula: - C26 H34 N2 O7 -
Comments: Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (issue 22) (1998) 3717-3724
Space group: I 1 2 1
Cell volume: 1277.26
Cell parameters: 11.444; 6.006; 18.591; 90; 91.674; 90;

COD ID: 1101224
CIF file	Formula: - Mo3 Na2 O16 Te3 - Comments: Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties Chemistry of Materials 18(8) (2006) 2070-2074 Space group: I 1 2 1 Cell volume: 675.3 Cell parameters: 7.3373; 11.2668; 8.2369; 90; 97.387; 90;

COD ID: 1501802
CIF file	Formula: - C30 H46 O4 S - Comments: Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf A highly conjugated dihydroxylated C28 steroid from a myxobacterium. Journal of natural products 74(5) (2011) 1281-1283 Space group: I 1 2 1 Cell volume: 2868.9 Cell parameters: 11.5246; 5.8509; 42.613; 90; 93.203; 90;

COD ID: 1512331
CIF file	Formula: - C26 H37 N2 O3.5 S - Comments: Nash, Aaron; Soheili, Arash; Tambar, Uttam K. Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis Organic Letters 15(18) (2013) 4770 Space group: I 1 2 1 Cell volume: 2442.3 Cell parameters: 17.591; 7.9204; 18.104; 90; 104.474; 90;

COD ID: 1513819

Formula: - C32 H50 N2 O3 S -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Shah, Rushabh S.; Thompson, Amber L.; Thomson, James E. (-)-(2S,3R,Z)-Nakinadine A: First Asymmetric Synthesis and Absolute Configuration Assignment. Organic letters 16(5) (2014) 1354-1357
Space group: I 1 2 1
Cell volume: 3398
Cell parameters: 15.1901; 5.6134; 39.9231; 90; 93.453; 90;

COD ID: 1516605

Formula: - C25 H36 O5 -
Comments: Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M. Diterpenes from the Endangered Goldenrod Solidago shortii. Journal of natural products 77(6) (2014) 1438-1444
Space group: I 1 2 1
Cell volume: 2251.4
Cell parameters: 13.9471; 8.2238; 19.675; 90; 93.918; 90;

COD ID: 1519895
CIF file	Formula: - C13 H10 N4 O5 - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N,N'-bis(3-Nitrophenyl)urea Crystal Structure Report Archive (2008) 687 Space group: I 1 2 1 Cell volume: 633.14 Cell parameters: 6.7095; 4.7163; 20.0338; 90; 92.902; 90;

COD ID: 1519942

Formula: - Al29.2 As18 Fe2.8 H190 O188 -
Comments: Grey, I. E.; Mumme, W. G.; Macrae, C. M.; Caradoc-Davies, T.; Price, J. R.; Rumsey, M. S.; Mills, S. J. Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)~32~(AsO~4~)~18~(OH)~42~(H~2~O)~22~]·52H~2~O, an open framework mineral with a pharmacoalumite-related structure Mineralogical Magazine 77(8) (2013) 3125-3135
Space group: I 1 2 1
Cell volume: 4696
Cell parameters: 24.576; 7.754; 24.641; 90; 90.19; 90;

COD ID: 1529066

Formula: - C36 H52 N8 O9 -
Comments: Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability Chem. Sci. 6(10) (2015) 5473
Space group: I 1 2 1
Cell volume: 4017.3
Cell parameters: 16.9971; 9.2681; 25.8496; 90; 99.408; 90;

COD ID: 1533746
CIF file	Formula: - Bi6.154 O16 P2 Ti0.846 - Comments: Steinfink, H.; Lynch, V. The crystal structure of a bismuth - transition metal phosphate Bi6 Ti P2 O16 Journal of Solid State Chemistry 177 (2004) 1412-1415 Space group: I 1 2 1 Cell volume: 679.851 Cell parameters: 11.233; 5.4096; 11.233; 90; 95.13; 90;

COD ID: 1539124
CIF file	Formula: - O5 Ta2 - Comments: Stephenson, N.C.; Roth, R.S. The crystal structure of the high temperature form of Ta2 O2 Journal of Solid State Chemistry 3 (1971) 145-153 Space group: I 1 2 1 Cell volume: 519.154 Cell parameters: 3.81; 3.81; 35.76399; 90; 90; 90;

COD ID: 1541917

Formula: - C92 H89 N O20 Zn2 -
Comments: Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid Chem. Sci. 7(5) (2016) 3085
Space group: I 1 2 1
Cell volume: 11940.3
Cell parameters: 18.9677; 19.9186; 31.739; 90; 95.287; 90;

COD ID: 1543858
CIF file Original IUCr paper	Formula: - C4 H9 N O2 - Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016) Space group: I 1 2 1 Cell volume: 2126.3 Cell parameters: 9.6246; 5.2079; 43.103; 90; 100.201; 90;

COD ID: 1543864
CIF file	Formula: - C5 H11 N O2 - Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016) Space group: I 1 2 1 Cell volume: 1356.1 Cell parameters: 9.5868; 5.156; 27.477; 90; 93.203; 90;

COD ID: 1543865
CIF file	Formula: - C5 H11 N O2 - Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016) Space group: I 1 2 1 Cell volume: 1386.1 Cell parameters: 9.5855; 5.1752; 27.959; 90; 92.057; 90;

COD ID: 1545748
CIF file	Formula: - C220 H150 - Comments: Ikemoto, Koki; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki Entropy-Driven Ball-in-Bowl Assembly of Fullerene and Geodesic Phenylene Bowl Organic Letters (2017) Space group: I 1 2 1 Cell volume: 18664 Cell parameters: 15.2965; 29.0416; 42.143; 90; 94.486; 90;

COD ID: 1545781

Formula: - C14 H21 N O4 S -
Comments: Sekiya, Shinji; Okumura, Mao; Kubota, Kei; Nakamura, Tatsuya; Sekine, Daisuke; Hosokawa, Seijiro Remote Asymmetric Bromination Reaction with Vinylketene Silyl N,O-Acetal and Its Application to Total Synthesis of Pellasoren A. Organic letters 19(9) (2017) 2394-2397
Space group: I 1 2 1
Cell volume: 1549
Cell parameters: 14.811; 5.342; 19.823; 90; 99.03; 90;

COD ID: 1547194

Formula: - C34 H20 -
Comments: Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy The Journal of Physical Chemistry C 121(38) (2017) 20947
Space group: I 1 2 1
Cell volume: 1270.2
Cell parameters: 11.177; 8.834; 12.887; 90; 93.357; 90;

COD ID: 1547823
CIF file	Formula: - C16 H26.5 O7.25 - Comments: Hurtak, Jessica A.; McDonald, Frank E. Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors. Organic letters 19(22) (2017) 6036-6039 Space group: I 1 2 1 Cell volume: 3337 Cell parameters: 19.911; 5.551; 30.35; 90; 95.908; 90;

COD ID: 1548119

Formula: - C39 H54 O7 -
Comments: Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase. Journal of natural products 80(12) (2017) 3218-3223
Space group: I 1 2 1
Cell volume: 3432.45
Cell parameters: 18.06063; 9.22305; 20.6152; 90; 91.6998; 90;

COD ID: 1549108

Formula: - C18 H30 F5 I Ni P2 -
Comments: Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides. Chemical science 9(15) (2018) 3767-3781
Space group: I 1 2 1
Cell volume: 1176.33
Cell parameters: 8.0074; 11.3665; 12.9665; 90; 94.616; 90;

COD ID: 1549109

Formula: - C18 H30 F5 I Ni P2 -
Comments: Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides. Chemical science 9(15) (2018) 3767-3781
Space group: I 1 2 1
Cell volume: 1149.51
Cell parameters: 7.8675; 11.3291; 12.9347; 90; 94.392; 90;

COD ID: 1549115

Formula: - C18 H30 F5 I Ni P2 -
Comments: Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands vs. other halides. Chemical science 9(15) (2018) 3767-3781
Space group: I 1 2 1
Cell volume: 1154.19
Cell parameters: 7.892; 11.3325; 12.9439; 90; 94.434; 90;

COD ID: 1549566
CIF file	Formula: - C53 H48 Cl4 Os P2 Si - Comments: Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science 9(27) (2018) 5994-5998 Space group: I 1 2 1 Cell volume: 4869.82 Cell parameters: 13.9889; 16.453; 21.3301; 90; 97.273; 90;

COD ID: 1550166
CIF file	Formula: - C22 H31 Ir O2 - Comments: Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science (2019) Space group: I 1 2 1 Cell volume: 1962.86 Cell parameters: 10.8334; 8.23239; 22.2298; 90; 98.0838; 90;

COD ID: 1551328

Formula: - C80 H119 Cl2 N12 O9.5 -
Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159
Space group: I 1 2 1
Cell volume: 9504.4
Cell parameters: 21.7305; 19.737; 22.9973; 90; 105.506; 90;

COD ID: 1551329
CIF file	Formula: - C83 H137 N12 O15 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: I 1 2 1 Cell volume: 9591.4 Cell parameters: 21.644; 19.7822; 23.2696; 90; 105.704; 90;

COD ID: 1551358
CIF file	Formula: - C27 H32 O7 - 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: I 1 2 1 Cell volume: 2693.04 Cell parameters: 10.7987; 9.1936; 27.3628; 90; 97.543; 90;

COD ID: 1551879
CIF file	Formula: - C88 H104 N12 - Comments: Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry 5 (2013) 276-281 Space group: I 1 2 1 Cell volume: 7756.2 Cell parameters: 17.5354; 18.0598; 24.493; 90; 90.554; 90;

COD ID: 1551880
CIF file	Formula: - C88 H104 N12 - Comments: Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry 5 (2013) 276-281 Space group: I 1 2 1 Cell volume: 7945 Cell parameters: 17.701; 18.026; 24.9002; 90; 90.293; 90;

COD ID: 1552192

Formula: - C88 H198 N2 O24 Si6 U2 -
Comments: Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands Chemical Science (2019)
Space group: I 1 2 1
Cell volume: 5810.2
Cell parameters: 14.2946; 16.3627; 25.1526; 90; 99.031; 90;

COD ID: 1552554
CIF file	Formula: - C21 H24 Cl N O4 - Comments: Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411. Journal of agricultural and food chemistry 67(8) (2019) 2175-2182 Space group: I 1 2 1 Cell volume: 2040.2 Cell parameters: 7.3616; 8.6802; 31.9635; 90; 92.7; 90;

COD ID: 1552603

Formula: - C16 H17 Cl O6 -
Comments: Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis. Journal of natural products 82(1) (2019) 101-110
Space group: I 1 2 1
Cell volume: 1599.28
Cell parameters: 13.508; 5.3369; 22.2879; 90; 95.528; 90;

COD ID: 1552884

Formula: - C23 H20 O -
Comments: Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science 11(2) (2020) 494-498
Space group: I 1 2 1
Cell volume: 1698.27
Cell parameters: 17.3724; 5.5677; 18.8919; 90; 111.661; 90;

COD ID: 1552949
CIF file	Formula: - C16.05 H12.45 N O5 - Comments: Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science 11(2) (2020) 403-408 Space group: I 1 2 1 Cell volume: 1691.83 Cell parameters: 15.0405; 8.4792; 13.8431; 90; 106.602; 90;

COD ID: 1553413

Formula: - C28 H20 S -
Comments: Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching? Materials Chemistry Frontiers 1(6) (2017) 1125
Space group: I 1 2 1
Cell volume: 2014.83
Cell parameters: 15.4081; 6.0485; 22.1271; 90; 102.299; 90;

COD ID: 1554448

Formula: - C28 H33 Br O3 -
Comments: Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction Organic Chemistry Frontiers 5(20) (2018) 3013
Space group: I 1 2 1
Cell volume: 4967.1
Cell parameters: 26.357; 7.5712; 24.9141; 90; 92.458; 90;

COD ID: 1554470
CIF file	Formula: - C26 H30 N4 O9 - Comments: Chen, Jinhong; Li, Junfang; Zhu, Longqing; Peng, Xue; Feng, Yiyue; Lu, Yingmei; Hu, Xiaoling; Liang, Jianpin; Zhao, Quanyi; Wang, Zhen Total synthesis and structure revision of chrysamide B Organic Chemistry Frontiers 5(23) (2018) 3402 Space group: I 1 2 1 Cell volume: 1353 Cell parameters: 9.9349; 5.4755; 25.351; 90; 101.162; 90;

COD ID: 1555043

Formula: - C25 H28 O10 -
Comments: Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013 Organic Chemistry Frontiers 6(18) (2019) 3252
Space group: I 1 2 1
Cell volume: 2069.83
Cell parameters: 11.9189; 6.5987; 26.7335; 90; 100.124; 90;

COD ID: 1556712

Formula: - C24 H30 N0 O6 -
Comments: Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus Journal of Natural Products (2019)
Space group: I 1 2 1
Cell volume: 2154.74
Cell parameters: 17.78258; 7.75587; 15.80743; 90; 98.7572; 90;

COD ID: 1558056

Formula: - C82 H65 Co4 N16 O12 -
Comments: Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers. Nanoscale 12(21) (2020) 11601-11611
Space group: I 1 2 1
Cell volume: 10770.6
Cell parameters: 15.6211; 21.1135; 32.721; 90; 93.605; 90;

COD ID: 1558817
CIF file	Formula: - C38.5 H57 O5.5 - Comments: Marchbank, Douglas H.; Ptycia-Lamky, Vernon C.; Decken, Andreas; Haltli, Bradley A.; Kerr, Russell G. Guanahanolide A, a Meroterpenoid with a Sesterterpene Skeleton from Coral-Derived Streptomyces sp. Organic Letters (2020) Space group: I 1 2 1 Cell volume: 3635.5 Cell parameters: 10.479; 10.076; 34.499; 90; 93.585; 90;

COD ID: 1559891

Formula: - C26 H25 O -
Comments: Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed Z →E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science 12(7) (2020) 2614-2622
Space group: I 1 2 1
Cell volume: 1935.2
Cell parameters: 11.9345; 7.2394; 22.679; 90; 99.029; 90;

COD ID: 1561809
CIF file	Formula: - Bi6.5 Cu0.5 O15.2 V2 - Comments: Gupta, Akanksha; Uma, S. Synthesis and crystal structure of Bi6(Bi0.5Cu0.5)V2O15+ Journal of Solid State Chemistry 230 (2015) 369-373 Space group: I 1 2 1 Cell volume: 674.9 Cell parameters: 11.2768; 5.4513; 11.055; 90; 96.702; 90;

COD ID: 1563744
CIF file	Formula: - C29 H32 N2 O4 - Comments: Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li [11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells Journal of Natural Products (2021) Space group: I 1 2 1 Cell volume: 2975.25 Cell parameters: 20.5395; 5.87746; 24.8986; 90; 98.171; 90;

COD ID: 1564146
CIF file	Formula: - C49.8 H81.1 O15.75 - Comments: Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals 11(2) (2021) 172 Space group: I 1 2 1 Cell volume: 5299.5 Cell parameters: 14.8197; 9.1753; 39.094; 90; 94.49; 90;

COD ID: 1564496

Formula: - C25 H35 N O5 -
Comments: An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs) Chemical Science (2021)
Space group: I 1 2 1
Cell volume: 2431.69
Cell parameters: 11.0067; 9.2663; 24.1638; 90; 99.36; 90;

COD ID: 1564702
CIF file	Formula: - C36 H84 Cl6 In12 N8 O26 - Comments: Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications Chemical Science (2021) Space group: I 1 2 1 Cell volume: 3705.07 Cell parameters: 16.0512; 11.4206; 20.2117; 90; 90.194; 90;

COD ID: 1564786
CIF file	Formula: - C28 H18 Br N3 O - Comments: Qiu, Shaotong; Gao, Xiang; Zhu, Shifa Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks Chemical Science (2021) Space group: I 1 2 1 Cell volume: 4549.5 Cell parameters: 20.2119; 7.9865; 28.5833; 90; 99.59; 90;

COD ID: 1565178
CIF file	Formula: - C42.64 H56.23 Cl3.11 N16 O5.46 - Comments: Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke Chiral, Sequence-Definable Foldamer-Derived Macrocycles Chemical Science (2021) Space group: I 1 2 1 Cell volume: 5279.29 Cell parameters: 12.00486; 18.58877; 23.79439; 90; 96.15; 90;

COD ID: 1565504

Formula: - C24 H30 O6 -
Comments: Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from Penicillium steckii HNNU-5B18. Journal of natural products 84(11) (2021) 2953-2960
Space group: I 1 2 1
Cell volume: 2132.75
Cell parameters: 18.8062; 5.4589; 21.9181; 90; 108.589; 90;

COD ID: 1566609
CIF file	Formula: - C76.5 Fe N4 O27.5 S2 Si16 - Comments: Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli Chiral Molecular Nanosilicas Chemical Science (2022) Space group: I 1 2 1 Cell volume: 26797.4 Cell parameters: 37.4731; 17.2234; 42.6209; 90; 103.053; 90;

COD ID: 1567256

Formula: - C50 H86 N2 O4.25 Y -
Comments: Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry 13(29) (2022) 4249-4259
Space group: I 1 2 1
Cell volume: 10250.9
Cell parameters: 21.9272; 11.1967; 41.785; 90; 92.244; 90;

COD ID: 1567793
CIF file	Formula: - C20 H18 F5 N O5 - Comments: Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science 13(44) (2022) 12971-12979 Space group: I 1 2 1 Cell volume: 2041.69 Cell parameters: 20.3374; 7.1756; 14.0098; 90; 92.999; 90;

COD ID: 1568070

Formula: - C48 H108 Cl12 Cu3 N6 -
Comments: Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines. Nanoscale 15(4) (2023) 1595-1601
Space group: I 1 2 1
Cell volume: 6978.3
Cell parameters: 20.7149; 18.0468; 19.5556; 90; 107.343; 90;

COD ID: 1568073

Formula: - C48 H108 Cl12 Cu3 N6 -
Comments: Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines. Nanoscale 15(4) (2023) 1595-1601
Space group: I 1 2 1
Cell volume: 6975.5
Cell parameters: 20.4795; 18.1694; 19.6068; 90; 107.039; 90;

COD ID: 1568194

Formula: - C7 H10 O3 S -
Comments: Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties Polymer Chemistry 14(5) (2023) 623-632
Space group: I 1 2 1
Cell volume: 1599.02
Cell parameters: 12.599; 6.90114; 18.8705; 90; 102.949; 90;

COD ID: 1569103

Formula: - C162 H324 K9 Mo3 N18 O54 Sb24 -
Comments: Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes. Materials horizons 10(8) (2023) 2997-3004
Space group: I 1 2 1
Cell volume: 25025.5
Cell parameters: 25.8992; 25.3671; 38.125; 90; 92.409; 90;

COD ID: 2001658
CIF file Original IUCr paper	Formula: - C29 H52 O7 - Comments: Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K. Structure of vicogenin Acta Crystallographica Section C 49(6) (1993) 1240-1242 Space group: I 1 2 1 Cell volume: 2856 Cell parameters: 19.14; 7.635; 19.838; 90; 99.84; 90;

COD ID: 2002794
CIF file	Formula: - Ba2 O9 P2 V - Comments: Wadewitz, C; Mueller-Buschbaum, Hk Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 1290-1294 Space group: I 1 2 1 Cell volume: 856.9 Cell parameters: 9.4707; 5.4433; 16.97197; 90; 101.648; 90;

COD ID: 2004137
CIF file Original IUCr paper	Formula: - C4 H5 K2 O6.5 - Comments: Boese, R.; Bläser, D.; Latz, R.; Piennisch, M. Dipotassium <small>L</small>-Tartrate Semihydrate Acta Crystallographica Section C 51(11) (1995) 2227-2229 Space group: I 1 2 1 Cell volume: 773.3 Cell parameters: 12.551; 5.0137; 12.7; 90; 104.62; 90;

COD ID: 2008148
CIF file Original IUCr paper	Formula: - C6 H10 O6 - Comments: Gerkin, Roger E. Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether] Acta Crystallographica Section C 55(2) (1999) 209-211 Space group: I 1 2 1 Cell volume: 406.29 Cell parameters: 7.0863; 4.3394; 13.2126; 90; 90.147; 90;

COD ID: 2011631

Formula: - C11 H13 N3 O4 -
Comments: Swenson, Dale C.; Nair, Vasu; Bera, Sanjib A dideoxydidehydronucleoside derivative Acta Crystallographica Section C 56(12) (2000) e600-e601
Space group: I 1 2 1
Cell volume: 2402.1
Cell parameters: 15.995; 6.865; 21.934; 90; 94.16; 90;

COD ID: 2012029

Formula: - C26 H24 Cl2 Ni P2 -
Comments: Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C 57(6) (2001) 690-693
Space group: I 1 2 1
Cell volume: 1247.1
Cell parameters: 12.4551; 7.9901; 13.035; 90; 105.983; 90;

COD ID: 2012030

Formula: - C26 H24 Cl2 Ni P2 -
Comments: Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C 57(6) (2001) 690-693
Space group: I 1 2 1
Cell volume: 1271.2
Cell parameters: 12.5688; 8.0208; 13.0871; 90; 105.531; 90;

COD ID: 2015931

Formula: - Ag3 F2 H4 N O6 P2 -
Comments: Weil, Matthias NH~4~Ag~3~(PO~3~F)~2~, a layered monofluorophosphate(V) with seven different Ag sites Acta Crystallographica Section C 63(5) (2007) i31-i33
Space group: I 1 2 1
Cell volume: 1686.5
Cell parameters: 30.895; 5.5976; 9.7522; 90; 90.027; 90;

COD ID: 2016711

Formula: - C H6 Cl N2 Na O2 -
Comments: Müller, S.; Schäfer, O.; Keller, E. Rock salt‒urea‒water (1/1/1) at 293 and 117K Acta Crystallographica Section C 64(8) (2008) m300-m304
Space group: I 1 2 1
Cell volume: 589.09
Cell parameters: 6.4845; 5.2362; 17.3497; 90; 90.152; 90;

COD ID: 2022406

Formula: - C9 H18 O5 -
Comments: Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S. Isopropyl 3-deoxy-α-D-ribo-hexopyranoside (isopropyl 3-deoxy-α-D-glucopyranoside): evaluating trends in structural parameters Acta Crystallographica Section C 77(8) (2021)
Space group: I 1 2 1
Cell volume: 1056
Cell parameters: 13.7349; 5.0575; 16.08; 90; 109.02; 90;

COD ID: 2104067

Formula: - C53 H100 O6 -
Comments: van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B 64(2) (2008) 249-259
Space group: I 1 2 1
Cell volume: 10934.1
Cell parameters: 22.7149; 5.65579; 85.11; 90; 90.204; 90;

COD ID: 2104068

Formula: - C53 H102 O6 -
Comments: van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B 64(2) (2008) 249-259
Space group: I 1 2 1
Cell volume: 10688.5
Cell parameters: 22.2531; 5.6339; 85.263; 90; 90.797; 90;

COD ID: 2104069

Formula: - C53 H100 O6 -
Comments: van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B 64(2) (2008) 249-259
Space group: I 1 2 1
Cell volume: 11164.7
Cell parameters: 22.988; 5.6407; 86.265; 90; 93.523; 90;

COD ID: 2104070

Formula: - C53 H102 O6 -
Comments: van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B 64(2) (2008) 249-259
Space group: I 1 2 1
Cell volume: 11123.2
Cell parameters: 22.7505; 5.6498; 86.746; 90; 93.968; 90;

COD ID: 2104692

Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik L-2-Aminobutyric acid: two fully ordered polymorphs with Z' = 4 Acta Crystallographica Section B 66(2) (2010) 253-259
Space group: I 1 2 1
Cell volume: 2122.3
Cell parameters: 9.646; 5.2145; 42.885; 90; 100.295; 90;

COD ID: 2200371

Formula: - C22 H27 Cl2 N Pb -
Comments: Howie, R. Alan; .; Wardell, James L. Tetramethylammonium dichlorotriphenylplumbate Acta Crystallographica Section E 57(6) (2001) m256-m258
Space group: I 1 2 1
Cell volume: 1090.85
Cell parameters: 10.3759; 9.7074; 10.84; 90; 92.432; 90;

COD ID: 2224136

Formula: - C15 H13 Br2 N O -
Comments: Xia, Dong-Guo; Ye, Ya-Fen; Lei, Ke-Wei 2,4-Dibromo-6-{(E)-[(R)-1-phenylethyl]iminomethyl}phenol Acta Crystallographica Section E 65(12) (2009) o3168
Space group: I 1 2 1
Cell volume: 2950.1
Cell parameters: 15.523; 9.3533; 21.527; 90; 109.287; 90;

COD ID: 2232690

Formula: - C18 H28 N4 O6 -
Comments: Wu, Xuefen; Chen, Xi; Hou, Yimin 2-Methoxy-N-[(S)-3-methylbutan-2-yl]-6-{[(S)-3-methylbutan-2-yl]amino}-3,5-dinitrobenzamide Acta Crystallographica Section E 67(12) (2011) o3482
Space group: I 1 2 1
Cell volume: 4177.9
Cell parameters: 21.1662; 9.8317; 22.565; 90; 117.163; 90;

COD ID: 2241563

Formula: - C10 H14 Cl3 N O5 -
Comments: Oishi, Takeshi; Yasushima, Daichi; Yuasa, Kihiro; Sato, Takaaki; Chida, Noritaka Crystal structure of (+)-methyl (E)-3-[(2S,4S,5R)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate Acta Crystallographica Section E 72(3) (2016) 343-346
Space group: I 1 2 1
Cell volume: 1382.96
Cell parameters: 14.8821; 5.5847; 17.2971; 90; 105.847; 90;

COD ID: 2241874

Formula: - C18 H23 Br N2 O8 -
Comments: Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate Acta Crystallographica Section E 72(11) (2016) 1544-1548
Space group: I 1 2 1
Cell volume: 976.57
Cell parameters: 6.1456; 5.6385; 28.2561; 90; 94.147; 90;

COD ID: 2241898

Formula: - C18 H23 Cl N2 O8 -
Comments: Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of L-dopa HCl and isotypic with its bromide counterpart Acta Crystallographica Section E 72(11) (2016) 1628-1632
Space group: I 1 2 1
Cell volume: 955.92
Cell parameters: 6.1768; 5.4349; 28.7651; 90; 98.14; 90;

COD ID: 2242824
CIF file Original IUCr paper	Formula: - C6 H6 Cs Na O7 - Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227 Space group: I 1 2 1 Cell volume: 1060.96 Cell parameters: 10.8913; 5.5168; 17.7908; 90; 97.014; 90;

COD ID: 2242825
CIF file	Formula: - C6 H6 Cs Na O7 - Comments: Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E 75(2) (2019) 223-227 Space group: I 1 2 1 Cell volume: 1060.97 Cell parameters: 10.8918; 5.5166; 17.7909; 90; 97.016; 90;

COD ID: 2243713

Formula: - C17 H14 O5 -
Comments: Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat Isolation and crystal structure of lawinal Acta Crystallographica Section E 77(1) (2021) 75-78
Space group: I 1 2 1
Cell volume: 2815.4
Cell parameters: 18.9581; 6.6461; 22.4043; 90; 94.163; 90;

COD ID: 2300193

Formula: - C50 H64 O16 -
Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto Ab initio structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301
Space group: I 1 2 1
Cell volume: 4715.1
Cell parameters: 21.1388; 9.1628; 24.5916; 90; 98.1462; 90;

COD ID: 2300194

Formula: - C50 H64 O16 -
Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto Ab initio structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301
Space group: I 1 2 1
Cell volume: 4622.43
Cell parameters: 21.0262; 9.1138; 24.3796; 90; 98.3396; 90;

COD ID: 2300195

Formula: - C50 H64 O16 -
Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto Ab initio structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301
Space group: I 1 2 1
Cell volume: 4525.95
Cell parameters: 20.9107; 9.0536; 24.2008; 90; 98.9412; 90;

COD ID: 2300373
CIF file Original IUCr paper	Formula: - H18 O12 S - Comments: Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S. Structure and thermal expansion of sulfuric acid octahydrate Journal of Applied Crystallography 45(6) (2012) 1198-1207 Space group: I 1 2 1 Cell volume: 1184.78 Cell parameters: 7.44247; 7.445; 26.1168; 90; 125.043; 90;

COD ID: 2310497
CIF file	Formula: - Ca3 H34 O45 V10 - Comments: Swallow, A.G.; Ahmed, F.R.; Barnes, W.H. The crystal structure of pascoite, Ca3 V10 O28 (H2 O)17 Acta Crystallographica (1,1948-23,1967) 21 (1966) 397-405 Space group: I 1 2 1 Cell volume: 1864.33 Cell parameters: 16.834; 10.156; 10.921; 90; 93.13; 90;

COD ID: 2312023

Formula: - C14 H18 N2 O5 S -
Comments: Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2H-pyran-2-yl]sulfan-yl}nicotino-nitrile. Acta crystallographica. Section E, Crystallographic communications 73(Pt 11) (2017) 1751-1754
Space group: I 1 2 1
Cell volume: 1571.69
Cell parameters: 7.66978; 8.7286; 23.7524; 90; 98.7356; 90;

COD ID: 2312396

Formula: - C27 H41 N3 O5 -
Comments: Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction. Acta crystallographica. Section C, Structural chemistry 80(Pt 3) (2024) 56-61
Space group: I 1 2 1
Cell volume: 5473.5
Cell parameters: 40.2744; 5.0976; 27.698; 90; 105.729; 90;

COD ID: 4020309
CIF file	Formula: - C31 H56 O6 Si - Comments: Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White Journal of Organic Chemistry 70 (2005) 5449-5460 Space group: I 1 2 1 Cell volume: 3485.1 Cell parameters: 22.109; 8.375; 19.32; 90; 103.04; 90;

COD ID: 4021074

Formula: - C23 H25 N O2 S2 -
Comments: Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids The Journal of Organic Chemistry 69(25) (2004) 8681-8693
Space group: I 1 2 1
Cell volume: 2111.3
Cell parameters: 13.011; 8.762; 18.586; 90; 94.84; 90;

COD ID: 4021686

Formula: - C26 H25 N O2 -
Comments: Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines Journal of Organic Chemistry 71 (2006) 3804-3815
Space group: I 1 2 1
Cell volume: 2111.1
Cell parameters: 17.077; 6.1; 20.335; 90; 94.74; 90;

COD ID: 4022573
CIF file	Formula: - C25 H46 O6 Si2 - Comments: Michael Klein; Manfred Zabel; Günther Bernhardt; Burkhard König Tetrahydroxy 10-Membered Cyclic Enediynes Journal of Organic Chemistry 68 (2003) 9379-9383 Space group: I 1 2 1 Cell volume: 3007.2 Cell parameters: 11.811; 7.5016; 34.063; 90; 94.85; 90;

COD ID: 4026552

Formula: - C40 H58 Br4 N2 O3 Si2 Zn -
Comments: Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts Journal of Organic Chemistry 76 (2011) 7065-7075
Space group: I 1 2 1
Cell volume: 2287.97
Cell parameters: 8.7606; 14.0441; 19.0306; 90; 102.267; 90;

COD ID: 4029512
CIF file	Formula: - C24 H40 O3 - Comments: Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F. Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol. The Journal of organic chemistry 79(12) (2014) 5636-5643 Space group: I 1 2 1 Cell volume: 2141.41 Cell parameters: 15.9947; 6.2325; 21.7799; 90; 99.498; 90;

COD ID: 4031373
CIF file	Formula: - Cl6.5 F3.5 Sb2 - Comments: Ballard, J.G.; Slim, D.R.; Birchall, T. X-ray crystal structure of tetra-antimony(V) tridecachloride heptachloride, (Sb2 Cl6.5 F3.5)2 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1979 (1979) 62-65 Space group: I 1 2 1 Cell volume: 1239.29 Cell parameters: 12.921; 7.423; 12.921; 90; 90.1; 90;

COD ID: 4031472
CIF file	Formula: - C7 H4 K4 N7 O2 Re - Comments: Manoli, J.M.; Potvin, C.; Bregeault, J.M.; Griffith, W.P. Crystal structure of potassium heptacyanorhenate(III) dihydrate Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1980 (1980) 192-195 Space group: I 1 2 1 Cell volume: 767.894 Cell parameters: 9.244; 8.998; 9.241; 90; 92.53; 90;

COD ID: 4034572

Formula: - C46 H63 O8 -
Comments: Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia Unusual ent-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels. The Journal of organic chemistry 84(21) (2019) 13595-13603
Space group: I 1 2 1
Cell volume: 13531.5
Cell parameters: 28.4549; 6.8073; 70.292; 90; 96.374; 90;

COD ID: 4034715

Formula: - C22 H31 N5 O3 Si -
Comments: Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir. The Journal of organic chemistry 83(24) (2018) 15512-15523
Space group: I 1 2 1
Cell volume: 14637.1
Cell parameters: 23.3389; 15.1799; 42.3532; 90; 102.714; 90;

COD ID: 4036133
CIF file	Formula: - C20 H20 F N3 O5 - Comments: Medvecky, Michal; Istrate, Alena; Leumann, Christian J. Synthesis and properties of 6'-fluoro-tricyclo-DNA. The Journal of organic chemistry 80(7) (2015) 3556-3565 Space group: I 1 2 1 Cell volume: 1846.11 Cell parameters: 13.0908; 6.7839; 20.8733; 90; 95.182; 90;

COD ID: 4036375

Formula: - C63 H68 Cl2 Fe2 N2 O4 -
Comments: Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J. Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes. The Journal of organic chemistry 80(20) (2015) 10163-10176
Space group: I 1 2 1
Cell volume: 2841.12
Cell parameters: 9.4054; 10.8382; 28.0924; 90; 97.196; 90;

COD ID: 4037529

Formula: - C18 H16 O2 -
Comments: Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles. The Journal of organic chemistry 82(23) (2017) 12224-12237
Space group: I 1 2 1
Cell volume: 1389.37
Cell parameters: 13.5394; 5.6134; 19.1987; 90; 107.79; 90;

COD ID: 4039027
CIF file HKL data	Formula: - C28 H46 N2 O7 - Comments: Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures Journal of Organic Chemistry 89 (2024) 4283-4293 Space group: I 1 2 1 Cell volume: 2755.03 Cell parameters: 12.8992; 6.1645; 35.2338; 90; 100.471; 90;

COD ID: 4061708
CIF file	Formula: - C44 H32 O2 P2 - Comments: Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario Organometallics (2005) Space group: I 1 2 1 Cell volume: 1723.6 Cell parameters: 12.3895; 10.1181; 13.7513; 90; 90.954; 90;

COD ID: 4065139
CIF file	Formula: - C74 H96 N4 O2.5 Pd2 - Comments: Egbert, Jonathan D.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P. Synthesis, Characterization, and Reactivity of N-Heterocyclic Carbene Palladium(II) Hydroxide Dimers Organometallics 30(17) (2011) 4494 Space group: I 1 2 1 Cell volume: 3497.2 Cell parameters: 16.368; 12.22; 17.633; 90; 97.446; 90;

COD ID: 4071401
CIF file	Formula: - C37 H35 Cl2 I P2 Ru - Comments: Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)] Organometallics 27(14) (2008) 3514 Space group: I 1 2 1 Cell volume: 3462.57 Cell parameters: 16.3029; 11.3714; 20.1949; 90; 112.352; 90;

COD ID: 4088883
CIF file	Formula: - C51.5 H79 Lu N4 Si2 - Comments: Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W. Enantiopure Amidinate Complexes of the Rare-Earth Elements Organometallics 35(20) (2016) 3474 Space group: I 1 2 1 Cell volume: 10534.5 Cell parameters: 21.7416; 11.489; 43.5432; 90; 104.408; 90;

COD ID: 4107082

Formula: - C42.75 H36.5 Cl3.5 N O3 Os P2 -
Comments: Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia Electrophilic Substitution Reactions of Metallabenzynes Journal of the American Chemical Society 133 (2011) 18350-18360
Space group: I 1 2 1
Cell volume: 7834
Cell parameters: 26.725; 10.8721; 26.968; 90; 91.165; 90;

COD ID: 4110460

Formula: - C30 H36 N2 O3 -
Comments: Shunji Aoki; Yasuo Watanabe; Mami Sanagawa; Andi Setiawan; Naoyuki Kotoku; Motomasa Kobayashi Cortistatins A, B, C, and D, Anti-angiogenic Steroidal Alkaloids, from the Marine Sponge Corticium simplex Journal of the American Chemical Society 128 (2006) 3148-3149
Space group: I 1 2 1
Cell volume: 2491.3
Cell parameters: 15.64; 9.128; 17.615; 90; 97.83; 90;

COD ID: 4113818

Formula: - C162 H324 K9 Mo3 N18 O54 Sb24 -
Comments: Banu Kesanli; James Fettinger; Bryan Eichhorn Controlled Aggregation of ME8n- Binary Anions (M = Cr, Mo; E = As, Sb) into One-Dimensional Arrays: Structures, Magnetism and Spectroscopy Journal of the American Chemical Society 125 (2003) 7367-7376
Space group: I 1 2 1
Cell volume: 25025.5
Cell parameters: 25.8992; 25.3671; 38.125; 90; 92.409; 90;

COD ID: 4115007
CIF file	Formula: - C22 H12 F8 N2 - Comments: Igor V. Alabugin; Serguei V. Kovalenko C1-C5 Photochemical Cyclization of Enediynes Journal of the American Chemical Society 124 (2002) 9052-9053 Space group: I 1 2 1 Cell volume: 3805.4 Cell parameters: 22.133; 8.1435; 22.136; 90; 107.488; 90;

COD ID: 4117208

Formula: - C153.12 H214.32 Cl4 N4 Na6 Ni16 O97.04 -
Comments: Brechin, Euan K.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P. Four Cubes and An Octahedron: A Nickel-Sodium Supracage Assembly Journal of the American Chemical Society 118(45) (1996) 11293-11294
Space group: I 1 2 1
Cell volume: 11584
Cell parameters: 29.999; 13.163; 30.994; 90; 108.83; 90;

COD ID: 4117625

Formula: - C25 H30 O6 -
Comments: Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans Journal of the American Chemical Society 134 (2012) 4709-4720
Space group: I 1 2 1
Cell volume: 2142.9
Cell parameters: 16.9929; 7.3879; 17.139; 90; 95.18; 90;

COD ID: 4117976
CIF file	Formula: - C20 H18 F3 N O - Comments: Aakarsh Saxena; Bonnie Choi; Hon Wai Lam Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones Journal of the American Chemical Society 134 (2012) 8428-8431 Space group: I 1 2 1 Cell volume: 3356.96 Cell parameters: 24.3724; 5.7222; 24.8875; 90; 104.722; 90;

COD ID: 4118232

Formula: - C31 H27 Br N2 O -
Comments: Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds Journal of the American Chemical Society 134 (2012) 11128-11131
Space group: I 1 2 1
Cell volume: 5006
Cell parameters: 25.396; 7.751; 27.382; 90; 111.766; 90;

COD ID: 4119060

Formula: - C76 H67 O14 P3 Ru -
Comments: Emma L. McInturff; Eiji Yamaguchi; Michael J. Krische Chiral-Anion-Dependent Inversion of Diastereo- and Enantioselectivity in Carbonyl Crotylation via Ruthenium-Catalyzed Butadiene Hydrohydroxyalkylation Journal of the American Chemical Society 134 (2012) 20628-20631
Space group: I 1 2 1
Cell volume: 6976
Cell parameters: 25.919; 11.0585; 26.886; 90; 115.146; 90;

COD ID: 4120224
CIF file	Formula: - C35 H52 N4 O4 - Comments: Zhiguo Bian; Christopher C. Marvin; Stephen F. Martin Enantioselective Total Synthesis of (-)-Citrinadin A and Revision of Its Stereochemical Structure Journal of the American Chemical Society 135 (2013) 10886-10889 Space group: I 1 2 1 Cell volume: 3355.8 Cell parameters: 14.7885; 15.481; 14.806; 90; 98.104; 90;

COD ID: 4122385

Formula: - C276 H212 B6 Cu3 F24 N22 O26 -
Comments: Gütz, Christoph; Hovorka, Rainer; Struch, Niklas; Bunzen, Jens; Meyer-Eppler, Georg; Qu, Zheng-Wang; Grimme, Stefan; Topić, Filip; Rissanen, Kari; Cetina, Mario; Engeser, Marianne; Lützen, Arne Enantiomerically Pure Trinuclear Helicates via Diastereoselective Self-Assembly and Characterization of Their Redox Chemistry. Journal of the American Chemical Society 136(33) (2014) 11830-11838
Space group: I 1 2 1
Cell volume: 15530.5
Cell parameters: 17.0006; 20.7788; 43.9704; 90; 90.9576; 90;

COD ID: 4122701

Formula: - C35 H52 N4 O4 -
Comments: Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F. Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures. Journal of the American Chemical Society 136(40) (2014) 14184
Space group: I 1 2 1
Cell volume: 3355.8
Cell parameters: 14.7885; 15.481; 14.806; 90; 98.104; 90;

COD ID: 4123764
CIF file	Formula: - C16 H20 Cl N O - Comments: Zou, Yike; Melvin, Jason E.; Gonzales, Stephen S.; Spafford, Matthew J.; Smith, 3rd, Amos B Total Synthesis of (-)-Nodulisporic Acid D. Journal of the American Chemical Society 137(22) (2015) 7095-7098 Space group: I 1 2 1 Cell volume: 2925.76 Cell parameters: 19.2746; 7.6362; 20.2859; 90; 101.507; 90;

COD ID: 4128370
CIF file	Formula: - C19 H19 Br O2 - Comments: Holt, Connor; Alachouzos, Georgios; Frontier, Alison J. Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones. Journal of the American Chemical Society 141(13) (2019) 5461-5469 Space group: I 1 2 1 Cell volume: 1588.41 Cell parameters: 17.9455; 4.9568; 19.3568; 90; 112.704; 90;

COD ID: 4130035

Formula: - C21 H20 Br N O2 -
Comments: Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C. Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode. Journal of the American Chemical Society 138(7) (2016) 2134-2137
Space group: I 1 2 1
Cell volume: 3612.1
Cell parameters: 22.756; 5.9048; 27.03; 90; 95.999; 90;

COD ID: 4130435

Formula: - C34 H34 Br2 N2 O3 -
Comments: Poulsen, Pernille H.; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis. Journal of the American Chemical Society 138(20) (2016) 6412-6415
Space group: I 1 2 1
Cell volume: 3061.65
Cell parameters: 17.3093; 6.24868; 29.0192; 90; 102.724; 90;

COD ID: 4130517

Formula: - C22 H20 O2 -
Comments: Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization. Journal of the American Chemical Society 138(26) (2016) 8068-8071
Space group: I 1 2 1
Cell volume: 1641.71
Cell parameters: 9.4271; 6.00798; 29.03; 90; 93.1504; 90;

COD ID: 4130759
CIF file	Formula: - C26 H22 S - Comments: Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur. Journal of the American Chemical Society 138(32) (2016) 10351-10355 Space group: I 1 2 1 Cell volume: 1891 Cell parameters: 18.49; 6.052; 19.25; 90; 118.64; 90;

COD ID: 4131298
CIF file	Formula: - C26.67 H30.67 O1.33 - Comments: Guo, Yi-An; Liang, Tao; Kim, Seung Wook; Xiao, Hongde; Krische, Michael J. Nickel-Catalyzed Cross-Coupling of Vinyl Dioxanones to Form Enantiomerically Enriched Cyclopropanes. Journal of the American Chemical Society 139(20) (2017) 6847-6850 Space group: I 1 2 1 Cell volume: 6644 Cell parameters: 33.36; 5.857; 34.01; 90; 90.95; 90;

COD ID: 4132450

Formula: - C16 H20 Cl N O -
Comments: Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy. Journal of the American Chemical Society 140(30) (2018) 9502-9511
Space group: I 1 2 1
Cell volume: 2925.76
Cell parameters: 19.2746; 7.6362; 20.2859; 90; 101.507; 90;

COD ID: 4134173
CIF file	Formula: - C14 H12 S - Comments: Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas Boronate Ester Bullvalenes. Journal of the American Chemical Society 142(8) (2020) 3680-3685 Space group: I 1 2 1 Cell volume: 2122.52 Cell parameters: 14.0151; 6.2442; 24.7473; 90; 101.462; 90;

COD ID: 4302109

Formula: - C29 H35 F6 O6 Ru -
Comments: Hisako Sato; Yukie Mori; Yutaka Fukuda; Akihiko Yamagishi Syntheses and Vibrational Circular Dichroism Spectra of the Complete Series of [Ru((-)- or (+)-tfac)n(acac)3-n] (n= 0 ~ 3, tfac = 3-Trifluoroacetylcamphorato and acac = Acetylacetonato) Inorganic Chemistry 48 (2009) 4354-4361
Space group: I 1 2 1
Cell volume: 3343
Cell parameters: 19.28; 8.913; 20.21; 90; 105.75; 90;

COD ID: 4306485
CIF file	Formula: - B2 Ge3 K2 O10 - Comments: Fang Kong; Hai-Long Jiang; Ting Hu; Jiang-Gao Mao CsB3GeO7 and K2B2Ge3O10: Explorations of New Second-Order Nonlinear Optical Materials in the Borogermanate Systems Inorganic Chemistry 47 (2008) 10611-10617 Space group: I 1 2 1 Cell volume: 870.7 Cell parameters: 11.86; 6.16; 12; 90; 96.696; 90;

COD ID: 4309225
CIF file	Formula: - C181 H180 Cd17 P2 S30 - Comments: Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties Inorganic Chemistry 44 (2005) 5447-5458 Space group: I 1 2 1 Cell volume: 43208 Cell parameters: 34.2588; 35.9324; 35.1; 90; 90.239; 90;

COD ID: 4309286
CIF file	Formula: - Cl3 Cu Nd4 O15 Te5 - Comments: Yue-Ling Shen; Jiang-Gao Mao Syntheses, Crystal Structures, and Properties of Six New Lanthanide(III) Transition Metal Tellurium(IV) Oxyhalides with Three Types of Structures Inorganic Chemistry 44 (2005) 5328-5335 Space group: I 1 2 1 Cell volume: 1891.3 Cell parameters: 17.719; 5.663; 19.39; 90; 103.573; 90;

COD ID: 4311145

Formula: - C10 H22 Cl6 N2 O5 Sn2 -
Comments: Yong-Hua Li; Zhi-Rong Qu; Hong Zhao; Qiong Ye; Li-Xin Xing; Xi-Sen Wang; Ren-Gen Xiong; Xiao-Zeng You A Novel TGS-like Inorganic-Organic Hybrid and a Preliminary Investigation of Its Possible Ferroelectric Behavior Inorganic Chemistry 43 (2004) 3768-3770
Space group: I 1 2 1
Cell volume: 2303.8
Cell parameters: 18.3225; 6.2068; 20.3289; 90; 94.787; 90;

COD ID: 4311153

Formula: - C162 H324 K9 N18 Nb3 O54 Sb24 -
Comments: Banu Kesanli; James Fettinger; Brian Scott; Bryan Eichhorn Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E = As, Sb) Complexes: Synthesis, Structure, and Spectroscopy Inorganic Chemistry 43 (2004) 3840-3846
Space group: I 1 2 1
Cell volume: 25122.8
Cell parameters: 26.0588; 25.3583; 38.0508; 90; 92.365; 90;

COD ID: 4314162

Formula: - C21 H27 Cl Fe3 N3 O20 -
Comments: Wendy Hibbs; Petra J. van Koningsbruggen; Atta M. Arif; William W. Shum; Joel S. Miller One- and Two-Step Spin-Crossover Behavior of [FeII(isoxazole)6]2+ and the Structure and Magnetic Properties of Triangular [FeIII3O(OAc)6(isoxazole)3][ClO4] Inorganic Chemistry 42 (2003) 5645-5653
Space group: I 1 2 1
Cell volume: 1631.7
Cell parameters: 10.1547; 16.5497; 10.3205; 90; 109.82; 90;

COD ID: 4315504
CIF file	Formula: - H4 I4 K2 Mn O14 - Comments: Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems Inorganic Chemistry 49 (2010) 4599-4605 Space group: I 1 2 1 Cell volume: 724.1 Cell parameters: 8.356; 7.7609; 11.166; 90; 90.09; 90;

COD ID: 4315505
CIF file	Formula: - Co H4 I4 K2 O14 - Comments: Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems Inorganic Chemistry 49 (2010) 4599-4605 Space group: I 1 2 1 Cell volume: 708 Cell parameters: 8.285; 7.738; 11.043; 90; 90.06; 90;

COD ID: 4315506
CIF file	Formula: - H4 I4 K2 O14 Zn - Comments: Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems Inorganic Chemistry 49 (2010) 4599-4605 Space group: I 1 2 1 Cell volume: 710.2 Cell parameters: 8.289; 7.733; 11.08; 90; 90.12; 90;

COD ID: 4315507
CIF file	Formula: - H4 I4 K2 Mg O14 - Comments: Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems Inorganic Chemistry 49 (2010) 4599-4605 Space group: I 1 2 1 Cell volume: 715.4 Cell parameters: 8.305; 7.76; 11.101; 90; 90.009; 90;

COD ID: 4318950
CIF file	Formula: - C14.5 H24 Br4 N6 O7.5 Re2 - Comments: Christian Tessier; Fernande D. Rochon; André L. Beauchamp Oxorhenium(V) Complexes with the Non-Sulfur-Containing Amino Acid Histidine Inorganic Chemistry 41 (2002) 6527-6536 Space group: I 1 2 1 Cell volume: 2705.6 Cell parameters: 15.349; 9.686; 18.658; 90; 102.74; 90;

COD ID: 4321397
CIF file	Formula: - Ga N5 O14 - Comments: Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning Inorganic Chemistry 39 (2000) 4621-4624 Space group: I 1 2 1 Cell volume: 511.058 Cell parameters: 9.5857; 5.9399; 8.9759; 90; 90.409; 90;

COD ID: 4321398
CIF file	Formula: - Ga N5 O14 - Comments: Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning Inorganic Chemistry 39 (2000) 4621-4624 Space group: I 1 2 1 Cell volume: 511.22 Cell parameters: 9.5898; 5.9376; 8.9784; 90; 90.42; 90;

COD ID: 4322762

Formula: - C28 H40 N4 O2 -
Comments: Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation Inorganic Chemistry 37 (1998) 2158-2165
Space group: I 1 2 1
Cell volume: 2646.9
Cell parameters: 15.487; 8.1988; 20.958; 90; 95.922; 90;

COD ID: 4331196
CIF file	Formula: - C30 H33 N5 O2 - Comments: Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation Inorganic Chemistry 51 (2012) 12948-12958 Space group: I 1 2 1 Cell volume: 2526 Cell parameters: 13.362; 12.353; 15.33; 90; 93.21; 90;

COD ID: 4331399
CIF file	Formula: - Ag Hg O2 - Comments: Britton, D.; Mahon, C. The Crystal Structure of Mercury(II) Cyanide-Silver Nitrate Dihydrate Inorganic Chemistry 10 (1971) 586-589 Space group: I 1 2 1 Cell volume: 1288.9 Cell parameters: 16.74; 7.25; 10.62; 90; 90.05; 90;

COD ID: 4332194

Formula: - C6 H16 Cl Cu0.5 N2 O4 -
Comments: Naumov, Panče; Sakurai, Kenji; Asaka, Toru; Belik, Alexei A.; Adachi, Shin-ichi; Takahashi, Junichi; Koshihara, Shin-ya Structural Basis for the Phase Switching of Bisaminecopper(II) Cations at the Thermal Limits of Lattice Stability Inorganic Chemistry 45(13) (2006) 5027-5033
Space group: I 1 2 1
Cell volume: 1099.6
Cell parameters: 9.9546; 8.383; 13.289; 90; 97.437; 90;

COD ID: 4336696

Formula: - Al Eu2 N0.1 O3.75 -
Comments: Keitaro Tezuka; Yoshimi Tokuhara; Makoto Wakeshima; Yue Jin Shan; Hideo Imoto; Yukio Hinatsu Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4 Inorganic Chemistry 52 (2013) 12972-12979
Space group: I 1 2 1
Cell volume: 169.634
Cell parameters: 3.71128; 3.68935; 12.39; 90; 90.686; 90;

COD ID: 4343630
CIF file	Formula: - C7 H4 K4 N7 O2 V - Comments: Levenson, R.A.; Towns, R.L.R. Crystal and molecular structure of potassium heptacyanovanadate(III) dihydrate Inorganic Chemistry 13 (1974) 105-109 Space group: I 1 2 1 Cell volume: 783.495 Cell parameters: 9.229; 9.097; 9.341; 90; 92.49; 90;

COD ID: 4349972

Formula: - C65 H62 Cu2 N8 O6 -
Comments: Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile Inorganic Chemistry Frontiers 6(5) (2019) 1135
Space group: I 1 2 1
Cell volume: 2944.4
Cell parameters: 14.5931; 12.2058; 16.6043; 90; 95.409; 90;

COD ID: 4509187

Formula: - C284 H142 Cl4 N12 S2 Zn2 -
Comments: Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds Crystal Growth & Design 9(2) (2009) 1170
Space group: I 1 2 1
Cell volume: 8908.5
Cell parameters: 20.177; 15.218; 29.833; 90; 103.466; 90;

COD ID: 4514408

Formula: - C62 H74.56 Ag O4.78 P2 -
Comments: Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines ACS Catalysis 9(6) (2019) 5268
Space group: I 1 2 1
Cell volume: 5456
Cell parameters: 11.7485; 26.0007; 18.5841; 90; 106.036; 90;

COD ID: 4514894
CIF file	Formula: - C19 H30 O3 - Comments: Li, Junqi; Grosslight, Samantha; Miller, Scott J.; Sigman, Matthew S.; Toste, F. Dean Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids ACS Catalysis (2019) 9794 Space group: I 1 2 1 Cell volume: 1701.42 Cell parameters: 10.013; 7.4903; 22.9488; 90; 98.688; 90;

COD ID: 4515469

Formula: - C17 H14 Br N O4 -
Comments: Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J. Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones. ACS catalysis 9(1) (2019) 242-252
Space group: I 1 2 1
Cell volume: 1691.76
Cell parameters: 22.7393; 5.2121; 14.2943; 90; 93.045; 90;

COD ID: 4517697
CIF file	Formula: - C24 H42 O2 - Comments: Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D. Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage ACS Catalysis (2020) 6450-6456 Space group: I 1 2 1 Cell volume: 6458 Cell parameters: 7.6128; 9.7121; 87.346; 90; 90.272; 90;

COD ID: 4518644

Formula: - C180 H192 Ag Cu16 P12 S8 -
Comments: Han, Bao-Liang; Wang, Zhi; Gupta, Rakesh Kumar; Feng, Lei; Wang, Suna; Kurmoo, Mohamedally; Gao, Zhi-Yong; Schein, Stan; Tung, Chen-Ho; Sun, Di Precise Implantation of an Archimedean Ag@Cu12 Cuboctahedron into a Platonic Cu4Bis(diphenylphosphino)hexane6 Tetrahedron. ACS nano (2021)
Space group: I 1 2 1
Cell volume: 9861.1
Cell parameters: 25.1664; 17.0909; 22.9344; 90; 91.506; 90;

COD ID: 6000694
CIF file	Formula: - Ca H O4.5 S - Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods Journal of Solid State Chemistry 117 (1995) 165-176 Space group: I 1 2 1 Cell volume: 1056.04 Cell parameters: 12.0317; 6.9269; 12.6712; 90; 90.27; 90;

COD ID: 6000695
CIF file	Formula: - Ca H1.2 O4.6 S - Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods Journal of Solid State Chemistry 117 (1995) 165-176 Space group: I 1 2 1 Cell volume: 1058.84 Cell parameters: 11.9845; 6.9292; 12.7505; 90; 90; 90;

COD ID: 7000849

Formula: - C10 H10 N8 Pt -
Comments: Mackay, Fiona S.; Farrer, Nicola J.; Salassa, Luca; Tai, Hui-Chung; Deeth, Robert J.; Moggach, Stephen A.; Wood, Peter A.; Parsons, Simon; Sadler, Peter J. Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes Dalton Transactions (issue 13) (2009) 2315-2325
Space group: I 1 2 1
Cell volume: 615.85
Cell parameters: 11.6121; 3.8371; 14.1714; 90; 102.756; 90;

COD ID: 7001513

Formula: - C25 H29 B2 Cu1.5 F8 N5 O6.5 -
Comments: Biswas, Chaitali; Drew, Michael G. B.; Estrader, Marta; Ghosh, Ashutosh Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures Dalton Transactions (issue 25) (2009) 5015-5022
Space group: I 1 2 1
Cell volume: 3129.6
Cell parameters: 12.5604; 6.9287; 35.989; 90; 92.265; 90;

COD ID: 7001696
CIF file	Formula: - Ag2 Mo3 O16 Te3 - Comments: Zhou, Yong; Hu, Chun-Li; Hu, Ting; Kong, Fang; Mao, Jiang-Gao Explorations of new second-order NLO materials in the AgI-MoVI/WVI-TeIV-O systems Dalton Transactions (issue 29) (2009) 5747 Space group: I 1 2 1 Cell volume: 682.8 Cell parameters: 7.398; 11.296; 8.245; 90; 97.73; 90;

COD ID: 7019025

Formula: - C23 H19 N3 S2 -
Comments: Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P. Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis Dalton Transactions 41(19) (2012) 5949
Space group: I 1 2 1
Cell volume: 956.11
Cell parameters: 5.5776; 7.5976; 22.5774; 90; 92.097; 90;

COD ID: 7031204

Formula: - C24 H54 Mn8 O47 -
Comments: Falvello, Larry R.; Forcén-Vázquez, Elena; Palacio, Fernando; Sanz, Sergio; Tomás, Milagros A discrete neutral transition-metal citrate cubane with an M4O4 core; coordinative versatility of the [M(II)4(citrate)4](8-) fragment. Dalton transactions (Cambridge, England : 2003) 43(28) (2014) 10700-10704
Space group: I 1 2 1
Cell volume: 2445.99
Cell parameters: 11.7817; 9.9864; 21.2165; 90; 101.519; 90;

COD ID: 7037915

Formula: - C24 H20 Cu I2 N2 O5 -
Comments: Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes. Dalton transactions (Cambridge, England : 2003) 45(8) (2016) 3398-3406
Space group: I 1 2 1
Cell volume: 1214.83
Cell parameters: 15.4024; 5.8321; 15.4255; 90; 118.75; 90;

COD ID: 7037917

Formula: - C26 H26 Cu N2 O7 -
Comments: Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes. Dalton transactions (Cambridge, England : 2003) 45(8) (2016) 3398-3406
Space group: I 1 2 1
Cell volume: 1228.19
Cell parameters: 14.9535; 6.02142; 15.2932; 90; 116.885; 90;

COD ID: 7040054

Formula: - C132 H126 Cl8 Fe2 N26 O32 Zn2 -
Comments: Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter (1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex. Dalton transactions (Cambridge, England : 2003) 45(35) (2016) 13798-13809
Space group: I 1 2 1
Cell volume: 3224.06
Cell parameters: 14.5861; 13.0946; 17.1156; 90; 99.518; 90;

COD ID: 7045500
CIF file	Formula: - C29 H24.5 N7 Ni O6 - Comments: Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI) Dalton Transactions (2018) Space group: I 1 2 1 Cell volume: 3549 Cell parameters: 9.2283; 15.0673; 25.829; 90; 98.81; 90;

COD ID: 7046340

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 1082
Cell parameters: 7.4908; 5.4877; 26.5634; 90; 97.74; 90;

COD ID: 7046341

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 985
Cell parameters: 7.2705; 5.2464; 26.144; 90; 99; 90;

COD ID: 7046342

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 941
Cell parameters: 7.0813; 5.2012; 25.88; 90; 99.31; 90;

COD ID: 7046343

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 1015.9
Cell parameters: 7.3494; 5.3119; 26.31; 90; 98.483; 90;

COD ID: 7046344

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 1041
Cell parameters: 7.4106; 5.3751; 26.411; 90; 98.306; 90;

COD ID: 7046345

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 963.5
Cell parameters: 7.1762; 5.2148; 26.07; 90; 99.05; 90;

COD ID: 7046346

Formula: - C22 H26 N4 O8 Zn -
Comments: Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10654-10659
Space group: I 1 2 1
Cell volume: 1057.8
Cell parameters: 7.4416; 5.4166; 26.503; 90; 98.046; 90;

COD ID: 7048079

Formula: - C92 H108 Cs Eu O8 -
Comments: Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates. Dalton transactions (Cambridge, England : 2003) 47(48) (2018) 17469-17478
Space group: I 1 2 1
Cell volume: 3992.62
Cell parameters: 21.3014; 8.0066; 23.77; 90; 99.984; 90;

COD ID: 7061374

Formula: - C16 H19 N3 O2 -
Comments: Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K. Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups New Journal of Chemistry 46(13) (2022) 5996-6008
Space group: I 1 2 1
Cell volume: 4040.2
Cell parameters: 16.8439; 8.1225; 29.795; 90; 97.644; 90;

COD ID: 7061531
CIF file	Formula: - C30 H24 Cl2 N4 O6 Zn2 - Comments: Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions New Journal of Chemistry 46(27) (2022) 12910-12917 Space group: I 1 2 1 Cell volume: 3443.1 Cell parameters: 15.9066; 13.5695; 15.9528; 90; 90.606; 90;

COD ID: 7062946

Formula: - C29 H41 N5 O12 -
Comments: Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters New Journal of Chemistry 48(4) (2024) 1688-1695
Space group: I 1 2 1
Cell volume: 1506.71
Cell parameters: 10.5408; 8.9758; 16.0958; 90; 98.351; 90;

COD ID: 7109063
CIF file	Formula: - C24 H22 Cl N - Comments: Ping-Xin Zhou; Jian-Yi Luo; Lian-Biao Zhao; Yu-Ying Ye; Yong-Min Liang Palladium-catalyzed insertion of N-tosylhydrazones for the synthesis of isoindolines Chem.Commun. 49 (2013) 3254 Space group: I 1 2 1 Cell volume: 3858.6 Cell parameters: 30.0639; 6.1724; 21.5055; 90; 104.784; 90;

COD ID: 7109588
CIF file	Formula: - C29 H20 Co N2 O3 P - Comments: Wenfeng Lo; Chunhua Hu; Marck Lumeij; Richard Dronskowski; Michael Lovihayeem; Oren Ishal; Jianfeng Jiang [CoI(CN)2(CO)3]^-^, a new discovery from an 80-year-old reactio Chem.Commun. 49 (2013) 7382 Space group: I 1 2 1 Cell volume: 1253.6 Cell parameters: 13.042; 7.3431; 13.093; 90; 91.215; 90;

COD ID: 7112698

Formula: - C69 H114 Li2 Mn O2 Si8 -
Comments: Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A. Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes. Chemical communications (Cambridge, England) 47(42) (2011) 11680-11682
Space group: I 1 2 1
Cell volume: 3903.2
Cell parameters: 15.2016; 12.4057; 20.766; 90; 94.668; 90;

COD ID: 7114202

Formula: - C53 H75 Ce F9 N8 O16.5 S3 -
Comments: Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/ Chemical Communications (issue 10) (2002) 1120
Space group: I 1 2 1
Cell volume: 13537
Cell parameters: 32.176; 12.754; 33.047; 90; 93.46; 90;

COD ID: 7114203

Formula: - C53 H74 F9 N8 O16 Pr S3 -
Comments: Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/ Chemical Communications (issue 10) (2002) 1120
Space group: I 1 2 1
Cell volume: 13439
Cell parameters: 32.148; 12.713; 32.952; 90; 93.7; 90;

COD ID: 7114204

Formula: - C53 H74 F9 Gd N8 O16 S3 -
Comments: Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/ Chemical Communications (issue 10) (2002) 1120
Space group: I 1 2 1
Cell volume: 13228
Cell parameters: 32.018; 12.654; 32.715; 90; 93.63; 90;

COD ID: 7114205

Formula: - C53 H76 Er F9 N8 O17 S3 -
Comments: Aime, Silvio; Barge, Alessandro; Batsanov, Andrei S.; Botta, Mauro; Castelli, Daniela Delli; Fedeli, Franco; Mortillaro, Armando; Parker, David; Puschmann, Horst Controlling the variation of axial water exchange rates in macrocyclic lanthanide(iii) complexesElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b202862j/ Chemical Communications (issue 10) (2002) 1120
Space group: I 1 2 1
Cell volume: 13332
Cell parameters: 32.134; 12.697; 32.738; 90; 93.54; 90;

COD ID: 7114919
CIF file	Formula: - C66 H80 O38 - Comments: Stanier, Carol A.; O’Connell, Michael J.; Anderson, Harry L.; Clegg, William Synthesis of fluorescent stilbene and tolan rotaxanes by Suzuki coupling Chemical Communications (issue 5) (2001) 493 Space group: I 1 2 1 Cell volume: 7766 Cell parameters: 20.767; 13.96; 28.085; 90; 107.479; 90;

COD ID: 7115948
CIF file	Formula: - C44 H30 O19 Pb4 - Comments: Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson A facile single crystal to single crystal transition with significant structural contraction on desolvation Chem.Commun. 50 (2014) 14436 Space group: I 1 2 1 Cell volume: 2197.2 Cell parameters: 9.988; 17.698; 12.489; 90; 95.59; 90;

COD ID: 7117140

Formula: - C55 H92 B2 F8 N4 Ni O8 -
Comments: Yulong Zhang; Na Yang; Xiaohua Liu; Jing Guo; Xiying Zhang; Lili Lin; Changwei Hu; Xiaoming Feng Reversal of enantioselective Friedel-Crafts C3-alkylation of pyrrole by slightly tuning the amide units of N,N'-dioxide ligands Chem.Commun. 51 (2015) 8432
Space group: I 1 2 1
Cell volume: 3035.68
Cell parameters: 16.452; 8.8684; 22.2394; 90; 110.682; 90;

COD ID: 7117459

Formula: - C27 H18 O6 -
Comments: Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C. High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework. Chemical communications (Cambridge, England) 51(58) (2015) 11642-11645
Space group: I 1 2 1
Cell volume: 42881
Cell parameters: 31.419; 30.116; 45.32; 90; 90.412; 90;

COD ID: 7118125

Formula: - C72.5 H101.76 N12 O7.38 -
Comments: Briggs, Michael E.; Slater, Anna G.; Lunt, Neil; Jiang, Shan; Little, Marc A.; Greenaway, Rebecca L.; Hasell, Tom; Battilocchio, Claudio; Ley, Steven V.; Cooper, Andrew I. Dynamic flow synthesis of porous organic cages. Chemical communications (Cambridge, England) 51(98) (2015) 17390-17393
Space group: I 1 2 1
Cell volume: 9188.8
Cell parameters: 21.656; 19.8282; 22.267; 90; 106.048; 90;

COD ID: 7118232

Formula: - C31 H30 Br N3 O5 -
Comments: Zhao, Kun; Zhi, Ying; Li, Xinyi; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter Asymmetric synthesis of 3,3'-pyrrolidinyl-dispirooxindoles via a one-pot organocatalytic Mannich/deprotection/aza-Michael sequence. Chemical communications (Cambridge, England) 52(11) (2016) 2249-2252
Space group: I 1 2 1
Cell volume: 2725.62
Cell parameters: 14.6406; 9.57209; 19.5953; 90; 97.003; 90;

COD ID: 7119512

Formula: - C18 H13 Cl O3 -
Comments: Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D. 6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis. Chemical communications (Cambridge, England) 53(17) (2017) 2555-2558
Space group: I 1 2 1
Cell volume: 2927.7
Cell parameters: 12.181; 4.9624; 48.446; 90; 91.245; 90;

COD ID: 7119571

Formula: - C32 H35 Cl N2 O7 -
Comments: Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions. Chemical communications (Cambridge, England) 53(12) (2017) 2060-2063
Space group: I 1 2 1
Cell volume: 3184.24
Cell parameters: 14.196; 10.2666; 22.5256; 90; 104.088; 90;

COD ID: 7122115

Formula: - C74 H76 O8 P4 Pd2 -
Comments: Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process. Chemical communications (Cambridge, England) 54(72) (2018) 10132-10135
Space group: I 1 2 1
Cell volume: 14702.1
Cell parameters: 16.0483; 41.2069; 22.6837; 90; 101.452; 90;

COD ID: 7122315
CIF file	Formula: - C23 H25 N O5 - Comments: Bedekar, Ashutosh; Khanvilkar, Aditya N. Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy Chemical Communications (2018) Space group: I 1 2 1 Cell volume: 2018.9 Cell parameters: 10.7133; 12.3487; 15.4466; 90; 98.908; 90;

COD ID: 7123046
CIF file	Formula: - C70 H90 Au4 Cu2 N8 O25 P4 Pd2 S4 - Comments: Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer Chemical Communications (2019) Space group: I 1 2 1 Cell volume: 9045 Cell parameters: 20.842; 17.342; 25.184; 90; 96.43; 90;

COD ID: 7123085

Formula: - C29 H28 O6 -
Comments: Liu, Lin; Lei, Lin-Sheng; Zhan, Zong-Song; Liu, Si-Zhan; Wang, Yu-Xiao; Tu, Yong Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Ma, Ai-Jun; Wang, Shao-Hua A Catalytic Asymmetric One-Pot [3+2] Cyclization/Semipinacol Rearrangement Sequence: An Efficient Construction of MultiSubstituted 3H-Spiro[benzofuran-2,1'-cyclopentane] Skeleton Chemical Communications (2019)
Space group: I 1 2 1
Cell volume: 2399.52
Cell parameters: 17.305; 7.58059; 19.3663; 90; 109.178; 90;

COD ID: 7124348

Formula: - C15 H18 Cl N5 O3 -
Comments: Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs Chemical Communications (2019)
Space group: I 1 2 1
Cell volume: 1632.82
Cell parameters: 11.5414; 7.3357; 19.5853; 90; 100.033; 90;

COD ID: 7124645

Formula: - C21 H27 N3 O4 -
Comments: Li, Dan; Wang, Yijie; Wang, Linqing; Wang, Jie; Wang, Pengxin; Wang, Kezhou; Lin, Li; Liu, Dongsheng; Jiang, Xianxing; Yang, Dongxu Simple magnesium catalyst mediated γ-butyrolactams in desymmetrization of meso-aziridines. Chemical communications (Cambridge, England) 52(62) (2016) 9640-9643
Space group: I 1 2 1
Cell volume: 4214.6
Cell parameters: 16.8244; 6.0896; 41.9414; 90; 101.245; 90;

COD ID: 7126357

Formula: - C18 H12 N2 S2 -
Comments: Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation. Chemical communications (Cambridge, England) 56(43) (2020) 5763-5766
Space group: I 1 2 1
Cell volume: 749.52
Cell parameters: 7.8212; 5.9264; 16.1736; 90; 91.155; 90;

COD ID: 7126733

Formula: - C252.21 H144.14 Ag24 N6.04 O48 -
Comments: Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion. Chemical communications (Cambridge, England) 56(61) (2020) 8615-8618
Space group: I 1 2 1
Cell volume: 7341
Cell parameters: 34.592; 6.257; 35.505; 90; 107.21; 90;

COD ID: 7127704

Formula: - C81 H78 As4 Cl2 O8 -
Comments: Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors. Chemical communications (Cambridge, England) 57(16) (2021) 2013-2016
Space group: I 1 2 1
Cell volume: 3569
Cell parameters: 22.1368; 7.4077; 21.7648; 90; 90.278; 90;

COD ID: 7128314

Formula: - C38 H34 Cl2 Fe N2 O P2 -
Comments: Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K. Late-stage ligand functionalization via the Staudinger reaction using phosphine-appended 2,2'-bipyridine. Chemical communications (Cambridge, England) 57(46) (2021) 5718-5721
Space group: I 1 2 1
Cell volume: 3482.52
Cell parameters: 19.7052; 7.9644; 22.605; 90; 100.994; 90;

COD ID: 7128410

Formula: - C21 H21 N O5 -
Comments: Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones via organocatalytic one-pot reactions. Chemical communications (Cambridge, England) 57(55) (2021) 6764-6767
Space group: I 1 2 1
Cell volume: 1907.04
Cell parameters: 21.9574; 5.9872; 14.5153; 90; 92.023; 90;

COD ID: 7131475
CIF file	Formula: - C22 H24 I N3 O5 - Comments: Mattila, Milla; Rissanen, Kari; Ward, Jas S. Chiral carbonyl hypoiodites. Chemical communications (Cambridge, England) 59(31) (2023) 4648-4651 Space group: I 1 2 1 Cell volume: 4446.66 Cell parameters: 15.4356; 7.9667; 36.8918; 90; 101.429; 90;

COD ID: 7132997

Formula: - C132 H130 N6 O13 S3 -
Comments: Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation Chemical Communications (2024)
Space group: I 1 2 1
Cell volume: 64199.5
Cell parameters: 51.7627; 21.7575; 57.0058; 90; 90.443; 90;

COD ID: 7133036
CIF file	Formula: - C21 H34 O4 - Comments: Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji 9-Step Synthesis of (−)-Larikaempferic Acid Methyl Ester Enabled by Skeletal Rearrangement Chemical Communications (2024) Space group: I 1 2 1 Cell volume: 3897.74 Cell parameters: 20.0209; 6.9482; 29.3036; 90; 107.026; 90;

COD ID: 7153236

Formula: - C31 H32 N4 O5 S2 -
Comments: López, Miguel Vázquez; Bermejo, Manuel R.; Vázquez, M Eugenio; Taglietti, Angelo; Zaragoza, Guillermo; Pedrido, Rosa; Martínez-Calvo, Miguel Sulfonamide-imines as selective fluorescent chemosensors for the fluoride anion. Organic & biomolecular chemistry 8(2) (2010) 357-362
Space group: I 1 2 1
Cell volume: 5908.6
Cell parameters: 26.5105; 8.1629; 27.3038; 90; 90.2; 90;

COD ID: 7153600
CIF file	Formula: - C18 H24 O4 - Comments: Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide. Organic & biomolecular chemistry 12(5) (2014) 732-736 Space group: I 1 2 1 Cell volume: 1662.7 Cell parameters: 16.9067; 7.6918; 13.0515; 90; 101.576; 90;

COD ID: 7156206

Formula: - C69 H113 N17 O18 -
Comments: Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas How are 1,2,3-triazoles accommodated in helical secondary structures? Organic & biomolecular chemistry 16(19) (2018) 3576-3583
Space group: I 1 2 1
Cell volume: 8581.4
Cell parameters: 24.5384; 8.9796; 40.3241; 90; 105.026; 90;

COD ID: 7156498

Formula: - C22 H36 N4 O7 -
Comments: Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio A novel peptide conformation: the γ-bend ribbon. Organic & biomolecular chemistry 16(42) (2018) 7947-7958
Space group: I 1 2 1
Cell volume: 2600.48
Cell parameters: 20.6903; 5.75339; 23.2601; 90; 110.085; 90;

COD ID: 7156952

Formula: - C122 H158 Cl6 N12 O24 -
Comments: Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina Thermodynamically driven self-assembly of pyridinearene to hexameric capsules. Organic & biomolecular chemistry 17(29) (2019) 6980-6984
Space group: I 1 2 1
Cell volume: 18538.4
Cell parameters: 23.7456; 29.0274; 27.4514; 90; 101.549; 90;

COD ID: 7157015

Formula: - C31 H26 N2 O4 S -
Comments: Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction. Organic & biomolecular chemistry 17(35) (2019) 8140-8148
Space group: I 1 2 1
Cell volume: 2772
Cell parameters: 12.1351; 8.4982; 26.9828; 90; 95.024; 90;

COD ID: 7157335

Formula: - C14 H15 F3 O4 S -
Comments: Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction. Organic & biomolecular chemistry 18(8) (2020) 1607-1611
Space group: I 1 2 1
Cell volume: 1540.78
Cell parameters: 17.4373; 5.6433; 16.0752; 90; 103.086; 90;

COD ID: 7157372
CIF file	Formula: - C20 H32 F6 - Comments: Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David Probing the helical integrity of multivicinal all-syn-fluoro alkanes. Organic & biomolecular chemistry 18(5) (2020) 878-887 Space group: I 1 2 1 Cell volume: 2019 Cell parameters: 10.939; 5.285; 35.06; 90; 95.01; 90;

COD ID: 7158108
CIF file	Formula: - C32 H26 Br N O4.5 - Comments: Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones. Organic & biomolecular chemistry 19(26) (2021) 5836-5843 Space group: I 1 2 1 Cell volume: 2843.7 Cell parameters: 7.179; 15.131; 26.209; 90; 92.737; 90;

COD ID: 7158864
CIF file	Formula: - C29 H51.5 O1.75 - Comments: Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph Synthesis of Obtusifoliol and Analogues as CYP51 Substrates Organic & Biomolecular Chemistry (2022) Space group: I 1 2 1 Cell volume: 5349.3 Cell parameters: 13.3918; 6.3858; 62.756; 90; 94.619; 90;

COD ID: 7159418

Formula: - C34 H34 N O7 -
Comments: Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V. Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A. Organic & biomolecular chemistry 21(24) (2023) 5117-5128
Space group: I 1 2 1
Cell volume: 3284.9
Cell parameters: 19.2; 5.3821; 32.153; 90; 98.636; 90;

COD ID: 7200396
CIF file	Formula: - C24 H38 N4 O8 S2 - Comments: Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound CrystEngComm 11(5) (2009) 756 Space group: I 1 2 1 Cell volume: 2965.7 Cell parameters: 24.866; 5.1362; 24.893; 90; 111.12; 90;

COD ID: 7203250

Formula: - C44 H32 F6 N4 O4 S4 -
Comments: Brückner, Christian; Foss, Paul C. D.; Sullivan, James O.; Pelto, Ryan; Zeller, Matthias; Birge, Robert R.; Crundwell, Guy Origin of the bathochromically shifted optical spectra of meso-tetrathien-2'- and 3'-ylporphyrins as compared to meso-tetraphenylporphyrin. Physical chemistry chemical physics : PCCP 8(20) (2006) 2402-2412
Space group: I 1 2 1
Cell volume: 4103.4
Cell parameters: 16.2521; 16.252; 15.5357; 90; 90; 90;

COD ID: 7204496

Formula: - C42 H36 O5 -
Comments: Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography Journal of the Chemical Society, Perkin Transactions 1 (issue 23) (2002) 2673
Space group: I 1 2 1
Cell volume: 1591.8
Cell parameters: 9.656; 9.089; 18.142; 90; 91.24; 90;

COD ID: 7204497

Formula: - C42 H37 N O4 -
Comments: Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography Journal of the Chemical Society, Perkin Transactions 1 (issue 23) (2002) 2673
Space group: I 1 2 1
Cell volume: 1592.7
Cell parameters: 9.8515; 8.988; 17.9926; 90; 91.406; 90;

COD ID: 7207831
CIF file	Formula: - Mo3 Na2 O16 Te3 - Comments: Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16 CrystEngComm 14(10) (2012) 3490 Space group: I 1 2 1 Cell volume: 669.8 Cell parameters: 7.313; 11.236; 8.2171; 90; 97.26; 90;

COD ID: 7217672
CIF file	Formula: - C22 H36 O5 - Comments: Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan Labdane-Type Diterpenoids from Croton laevigatus RSC Advances (2014) Space group: I 1 2 1 Cell volume: 4233.71 Cell parameters: 20.3298; 9.17075; 24.619; 90; 112.723; 90;

COD ID: 7219266

Formula: - C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -
Comments: Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid CrystEngComm 17(8) (2015) 1750
Space group: I 1 2 1
Cell volume: 7072.4
Cell parameters: 11.7307; 21.7103; 27.772; 90; 89.317; 90;

COD ID: 7220231
CIF file	Formula: - C23 H42 F6 N4 O4 S2 - Comments: Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids RSC Adv. (2015) Space group: I 1 2 1 Cell volume: 6407.6 Cell parameters: 19.2495; 10.09683; 34.277; 90; 105.887; 90;

COD ID: 7223218
CIF file	Formula: - C84 H74 Fe N7 O4 - Comments: Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev Arene-based Fluorescent Probes for the Selective Detection of Iron RSC Adv. (2015) Space group: I 1 2 1 Cell volume: 4001.4 Cell parameters: 13.412; 10.469; 29.031; 90; 100.999; 90;

COD ID: 7229224
CIF file	Formula: - C12 H26 Ca I2 N6 O8 - Comments: Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario Ionic co-crystals of enantiopure and racemic histidine with calcium halides CrystEngComm (2017) Space group: I 1 2 1 Cell volume: 1206.15 Cell parameters: 16.7254; 4.87733; 14.9091; 90; 97.3744; 90;

COD ID: 7232429

Formula: - C15 H31.56 N4 O2 -
Comments: Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V. The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives CrystEngComm 21(14) (2019) 2398
Space group: I 1 2 1
Cell volume: 2070.07
Cell parameters: 20.4259; 4.79492; 21.6606; 90; 102.636; 90;

COD ID: 7232433

Formula: - C20 H18 F8 O10 Zn -
Comments: Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P. Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units CrystEngComm 21(15) (2019) 2524
Space group: I 1 2 1
Cell volume: 7309.4
Cell parameters: 12.6244; 15.2868; 38.1764; 90; 97.201; 90;

COD ID: 7232537

Formula: - C40 H44 F2 N2 O11 -
Comments: Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms CrystEngComm 21(24) (2019) 3668
Space group: I 1 2 1
Cell volume: 3857.5
Cell parameters: 18.96; 6.7993; 29.935; 90; 91.638; 90;

COD ID: 7237805

Formula: - C30 H42 N6 O4 -
Comments: Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations Journal of Materials Chemistry C 7(22) (2019) 6767
Space group: I 1 2 1
Cell volume: 3013
Cell parameters: 20.73; 4.899; 31.185; 90; 107.945; 90;

COD ID: 7237807

Formula: - C30 H42 N6 O4 -
Comments: Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations Journal of Materials Chemistry C 7(22) (2019) 6767
Space group: I 1 2 1
Cell volume: 3018.7
Cell parameters: 20.776; 4.8989; 31.193; 90; 108.04; 90;

COD ID: 7239860
CIF file	Formula: - C23 H28 N2 O5 - Comments: Chetia, Monikha; Debnath, Swapna; Chowdhury, Sumit; Chatterjee, Sunanda Self-assembly and multifunctionality of peptide organogels: oil spill recovery, dye absorption and synthesis of conducting biomaterials RSC Advances 10(9) (2020) 5220-5233 Space group: I 1 2 1 Cell volume: 2316 Cell parameters: 20.281; 5.226; 22.662; 90; 105.39; 90;

COD ID: 7240127

Formula: - C124 H144 N16 O8 -
Comments: Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks Green Chemistry 22(8) (2020) 2498-2504
Space group: I 1 2 1
Cell volume: 7529.4
Cell parameters: 18.197; 18.1795; 23.1831; 90; 100.957; 90;

COD ID: 7240375
CIF file	Formula: - C48 H60 Cs5.5 Mo10 Na6 O102 P4 - Comments: Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M. Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations CrystEngComm (2020) Space group: I 1 2 1 Cell volume: 13867.8 Cell parameters: 19.0337; 16.6107; 43.9445; 90; 93.491; 90;

COD ID: 7240378
CIF file	Formula: - C96 H110 K20 Mo20 Na1.5 O193 P8 - Comments: Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M. Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations CrystEngComm (2020) Space group: I 1 2 1 Cell volume: 25609 Cell parameters: 36.048; 16.1202; 47.517; 90; 111.956; 90;

COD ID: 7240695

Formula: - C12 H17 N3 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: I 1 2 1
Cell volume: 2423.14
Cell parameters: 12.7286; 13.6712; 15.1669; 90; 113.349; 90;

COD ID: 7243420
CIF file	Formula: - C25 H32 N2 O7 - Comments: Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility CrystEngComm 23(39) (2021) 6942-6951 Space group: I 1 2 1 Cell volume: 2450.8 Cell parameters: 20.206; 6.6378; 20.461; 90; 116.74; 90;

COD ID: 7243578
CIF file	Formula: - C31 H38 N O7.5 S2 - Comments: Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate CrystEngComm 23(39) (2021) 6838-6842 Space group: I 1 2 1 Cell volume: 2975.4 Cell parameters: 21.8237; 6.3425; 23.2717; 90; 112.529; 90;

COD ID: 7244524

Formula: - C16 H19.67 N3 O4.33 S -
Comments: Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun Understanding the role of solvent in regulating the crystal habit CrystEngComm 24(12) (2022) 2226-2240
Space group: I 1 2 1
Cell volume: 5106.3
Cell parameters: 16.8521; 11.9552; 26.6656; 90; 108.107; 90;

COD ID: 7245754

Formula: - C21 H21 N O4 -
Comments: Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds CrystEngComm (2022)
Space group: I 1 2 1
Cell volume: 3519.82
Cell parameters: 24.533; 5.04577; 30.1674; 90; 109.516; 90;

COD ID: 7245842

Formula: - C30 H24 Br4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1380.92
Cell parameters: 10.1024; 10.91929; 13.0659; 90; 106.645; 90;

COD ID: 7245843

Formula: - C30 H24 Br2 Cl2 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1364.85
Cell parameters: 10.1101; 10.85749; 13.0218; 90; 107.285; 90;

COD ID: 7245844

Formula: - C30 H24 Cl4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1338.48
Cell parameters: 9.98147; 10.86524; 12.8851; 90; 106.697; 90;

COD ID: 7245845

Formula: - C30 H24 Br2 Cl2 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1361.41
Cell parameters: 10.0967; 10.85; 13.0172; 90; 107.314; 90;

COD ID: 7245846

Formula: - C30 H24 Br4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1383.32
Cell parameters: 10.1059; 10.9312; 13.0682; 90; 106.621; 90;

COD ID: 7245847

Formula: - C30 H24 Cl4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1336.38
Cell parameters: 9.9679; 10.8655; 12.8831; 90; 106.713; 90;

COD ID: 7702311

Formula: - C38 H32 Cl6 N10 Na2 Ni2 O7 -
Comments: Brechin, Euan K.; Gilby, Liam M.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P. Heterobimetallic nickel‒sodium and cobalt‒sodium complexes of pyridonate ligands Journal of the Chemical Society, Dalton Transactions (issue 16) (1998) 2657
Space group: I 1 2 1
Cell volume: 2360.2
Cell parameters: 15.667; 9.1628; 16.4418; 90; 90.525; 90;

COD ID: 7704566

Formula: - C30 H24 Br4 Cu N2 O2 -
Comments: Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands. Dalton transactions (Cambridge, England : 2003) 49(24) (2020) 8247-8264
Space group: I 1 2 1
Cell volume: 1405.3
Cell parameters: 10.427; 10.778; 13.058; 90; 106.74; 90;

COD ID: 7704568

Formula: - C30 H24 Br2 Cl2 Cu N2 O2 -
Comments: Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands. Dalton transactions (Cambridge, England : 2003) 49(24) (2020) 8247-8264
Space group: I 1 2 1
Cell volume: 1365.39
Cell parameters: 10.33616; 10.64041; 13.0212; 90; 107.555; 90;

COD ID: 7705019

Formula: - C6 H16 N4 O5.5 V -
Comments: Deng, Lan; Zhou, Zhao-Hui Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH4VO3 or V2O5. Dalton transactions (Cambridge, England : 2003) 49(34) (2020) 11921-11930
Space group: I 1 2 1
Cell volume: 1117.34
Cell parameters: 13.8138; 5.1262; 17.0635; 90; 112.374; 90;

COD ID: 7706426

Formula: - C12 H27 N2 Nb2 O8 -
Comments: Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO2 as catalysts for dihydroxyacetone transformation. Dalton transactions (Cambridge, England : 2003) 50(5) (2021) 1604-1609
Space group: I 1 2 1
Cell volume: 2327.9
Cell parameters: 12.8106; 10.2674; 18.4561; 90; 106.473; 90;

COD ID: 7707769
CIF file	Formula: - C28 H30 Fe2 N2 O6 - Comments: Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao The origin of supramolecular chirality in 1-ferrocenyl amino acids. Dalton transactions (Cambridge, England : 2003) 50(28) (2021) 9695-9699 Space group: I 1 2 1 Cell volume: 2884.05 Cell parameters: 9.9913; 9.9535; 29.2374; 90; 97.299; 90;

COD ID: 7708141

Formula: - C18 H26 N2 S2 Sn -
Comments: Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K. Di-tert-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries. Dalton transactions (Cambridge, England : 2003) 50(37) (2021) 13073-13085
Space group: I 1 2 1
Cell volume: 994.91
Cell parameters: 10.3417; 7.0909; 13.9107; 90; 102.76; 90;

COD ID: 7708460

Formula: - C52 H68 Cu4 N4 O12 S4 -
Comments: Hou, Xiao-Xiao; Ren, Ya-Ping; Luo, Zhao-Hui; Jiang, Bing-Li; Lu, Tian-Tian; Huang, Fu-Ping; Qin, Xiu-Ying Two novel chiral tetranucleate copper-based complexes: syntheses, crystal structures, inhibition of angiogenesis and the growth of human breast cancer in vitro and in vivo Dalton Transactions (2021)
Space group: I 1 2 1
Cell volume: 5811.4
Cell parameters: 23.0626; 13.2138; 19.8116; 90; 105.73; 90;

COD ID: 7708861
CIF file	Formula: - C52.6 H65.2 Cl1.2 F40 Ge4 O36 P8 S12 - Comments: King, Rhys; Levason, William; Reid, Gillian Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures Dalton Transactions (2021) Space group: I 1 2 1 Cell volume: 5342.84 Cell parameters: 17.7401; 9.0881; 33.673; 90; 100.215; 90;

COD ID: 7709192

Formula: - C30 H24 Br4 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1390.13
Cell parameters: 10.2155; 10.9297; 12.9935; 90; 106.622; 90;

COD ID: 7709193

Formula: - C30 H24 Br2 Cl2 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1374.8
Cell parameters: 10.2247; 10.894; 12.9214; 90; 107.216; 90;

COD ID: 7709194

Formula: - C30 H24 Br2 Cl2 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1370.89
Cell parameters: 10.21573; 10.8824; 12.90981; 90; 107.218; 90;

COD ID: 7709195

Formula: - C30 H24 Cl4 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1340.81
Cell parameters: 10.08126; 10.86962; 12.7656; 90; 106.563; 90;

COD ID: 7709196

Formula: - C30 H24 Cl4 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1344.18
Cell parameters: 10.089; 10.8821; 12.7748; 90; 106.586; 90;

COD ID: 7709197

Formula: - C30 H24 Br4 N2 O2 Zn -
Comments: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 1390.41
Cell parameters: 10.2179; 10.9275; 12.9953; 90; 106.617; 90;

COD ID: 7709542

Formula: - C24 H22 Cl4 Cu N7 O7 -
Comments: Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 3049.1
Cell parameters: 21.2421; 7.12; 22.4062; 90; 115.875; 90;

COD ID: 7709548

Formula: - C24 H22 Br2 Cl2 Cu N7 O7 -
Comments: Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo Dalton Transactions (2022)
Space group: I 1 2 1
Cell volume: 3119.4
Cell parameters: 22.6667; 7.2097; 21.1442; 90; 115.478; 90;

COD ID: 7712415

Formula: - C48 H60 F12 N4 O12 Zn2 -
Comments: Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E. Fluorine-based Zn salan complexes Dalton Transactions (2023)
Space group: I 1 2 1
Cell volume: 5398.7
Cell parameters: 25.8902; 9.1717; 26.1158; 90; 119.476; 90;

COD ID: 7712489

Formula: - C91 H85 Cl3 N4 O2 -
Comments: Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions Dalton Transactions (2023)
Space group: I 1 2 1
Cell volume: 7575.34
Cell parameters: 25.8439; 10.5505; 28.3697; 90; 101.678; 90;

COD ID: 7712494

Formula: - C45 H40 Al Cl2 N2 O -
Comments: Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions Dalton Transactions (2023)
Space group: I 1 2 1
Cell volume: 3782.07
Cell parameters: 12.7756; 9.9253; 30.1239; 90; 98.056; 90;

COD ID: 7715686

Formula: - C20 H20 Cu2 I2 N2 O2 -
Comments: Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun 1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7315-7320
Space group: I 1 2 1
Cell volume: 2108.71
Cell parameters: 8.6981; 13.2756; 18.4773; 90; 98.763; 90;

COD ID: 7715687

Formula: - C20 H20 Cu2 I2 N2 O2 -
Comments: Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun 1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence. Dalton transactions (Cambridge, England : 2003) 53(17) (2024) 7315-7320
Space group: I 1 2 1
Cell volume: 2123.88
Cell parameters: 8.6998; 13.2495; 18.6513; 90; 98.923; 90;

COD ID: 8105061
CIF file	Formula: - C7 H10 N4 O - Comments: Wang, Yong; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen The crystal structure of bis(imidazole-1-yl)methane monohydrate, C7H10N4O Zeitschrift für Kristallographie - New Crystal Structures 235(1) (2019) 215-216 Space group: I 1 2 1 Cell volume: 816.5 Cell parameters: 15.7815; 4.3242; 12.4658; 90; 106.301; 90;

COD ID: 8105743

Formula: - C10 H16 Cl6 N2 Sn -
Comments: Wolke, Marie Barbara; Reiss, Guido J. The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6 Zeitschrift für Kristallographie - New Crystal Structures 237(4) (2022) 535-538
Space group: I 1 2 1
Cell volume: 3453.67
Cell parameters: 14.0477; 8.914; 27.6199; 90; 93.06; 90;

COD ID: 9005521
CIF file	Formula: - Ca H O4.5 S - Comments: Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy 13 (2001) 985-993 Space group: I 1 2 1 Cell volume: 1056.65 Cell parameters: 12.035; 6.9294; 12.6705; 90; 90.266; 90;

COD ID: 9007633
CIF file	Formula: - Al2 H6 K Na O10.765 Si2 - Comments: Alberti, A.; Vezzalini, G. The crystal structure of amicite, a zeolite Acta Crystallographica, Section B 35 (1979) 2866-2869 Space group: I 1 2 1 Cell volume: 1052.86 Cell parameters: 10.226; 10.422; 9.884; 90; 88.19; 90;

COD ID: 9009479
CIF file	Formula: - Al0.18 Cu3 Fe0.82 K3 O18 S4 - Comments: Gorskaya, M. G.; Filatov, S. K.; Rozhdestvenskaya, I. V.; Vergasova, L. P. The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, a new mineral from Kamchatka volcanic sublimates Mineralogical Magazine 56 (1992) 411-416 Space group: I 1 2 1 Cell volume: 1663.15 Cell parameters: 18.667; 4.94; 18.405; 90; 101.5; 90;

COD ID: 9011839
CIF file	Formula: - Nb O4 Y0.85 Yb0.15 - Comments: Komkov, A. I. The structure of natural fergusonite, and of a polymorphic modification Sample: annealed at T = 1000 C for t = 15 min Soviet Physics Crystallography 4 (1959) 796-800 Space group: I 1 2 1 Cell volume: 288.928 Cell parameters: 5.05; 10.89; 5.27; 90; 94.5; 90;

COD ID: 9012208

Formula: - Ca H O4.5 S -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, X-ray diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1056.07
Cell parameters: 12.0317; 6.9272; 12.6711; 90; 90.27; 90;

COD ID: 9012209

Formula: - Ca H O4.5 S -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, neutron Diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1056.04
Cell parameters: 12.0317; 6.9269; 12.6712; 90; 90.27; 90;

COD ID: 9012210

Formula: - Ca H1.33333 O4.6 S -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, X-ray diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1058.84
Cell parameters: 11.9845; 6.9292; 12.7505; 90; 90; 90;

COD ID: 9012211

Formula: - Ca H1.2 O4.6 S -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, neutron Diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1058.84
Cell parameters: 11.9845; 6.9292; 12.7505; 90; 90; 90;

COD ID: 9012686
CIF file	Formula: - O7.5 Sc0.06 Ta2.94 - Comments: Stephenson, N. C.; Roth, R. S. The crystal structure of the high temperature form of Ta2O2 Journal of Solid State Chemistry 3 (1971) 145-153 Space group: I 1 2 1 Cell volume: 519.154 Cell parameters: 3.81; 3.81; 35.764; 90; 90; 90;

COD ID: 9014802
CIF file	Formula: - Al0.64 Cu3 Fe0.36 K3 O18 S4 - Comments: Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N. The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 Geology of Ore Deposits 51 (2009) 656-662 Space group: I 1 2 1 Cell volume: 1686.43 Cell parameters: 18.772; 4.967; 18.468; 90; 101.66; 90;

COD ID: 9016940

Formula: - Ca H2 O2 -
Comments: Iizuka, R.; Yagi, T.; Komatsu, K.; Gotou, H.; Tsuchiya, T.; Kusaba, K.; Kagi, H. Crystal structure of the high-pressure phase of calcium hydroxide, portlandite: In situ powder and single crystal X-ray diffraction study Note: P = 8.9 GPa American Mineralogist 98 (2013) 1421-1428
Space group: I 1 2 1
Cell volume: 347.902
Cell parameters: 5.8882; 6.8408; 8.9334; 90; 104.798; 90;

COD ID: 9017209
CIF file	Formula: - Ca2 H2 O9 S2 - Comments: Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy 13 (2001) 985-993 Space group: I 1 2 1 Cell volume: 1056.65 Cell parameters: 12.035; 6.9294; 12.6705; 90; 90.266; 90;

COD ID: 9017373
CIF file	Formula: - Ca2 H2 O9 S2 - Comments: Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie 205 (1993) 99-113 Space group: I 1 2 1 Cell volume: 1058.06 Cell parameters: 12.0275; 6.9312; 12.6919; 90; 90.18; 90;

COD ID: 9017406
CIF file	Formula: - Ca2 H2 O9 S2 - Comments: Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO40.5H2O Comptes Rendus de l'Academie des Sciences Paris 312 (1991) 43-48 Space group: I 1 2 1 Cell volume: 1055.33 Cell parameters*: 12.01917; 6.93028; 12.66972; 90; 90.2348; 90;

COD ID: 9017508

Formula: - Ca2 H2 O9 S2 -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, X-ray diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1056.07
Cell parameters: 12.0317; 6.9272; 12.6711; 90; 90.27; 90;

COD ID: 9017510

Formula: - Ca3 H3.6 O13.8 S3 -
Comments: Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, X-ray diffraction Journal of Solid State Chemistry 117 (1995) 165-176
Space group: I 1 2 1
Cell volume: 1058.84
Cell parameters: 11.9845; 6.9292; 12.7505; 90; 90; 90;

COD ID: 9017628