Search results

Formula: - C23.5 H33 Cl I N O6 -
Comments: Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R. Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g. Organic letters 14(3) (2012) 756-759
Space group: P 61
Cell volume: 8055.1
Cell parameters: 10.9498; 10.9498; 77.5761; 90; 90; 120;

COD ID: 1504885
CIF file	Formula: - C25.5 H24 N2 O2.5 - Comments: Yao, Pei-Yuan; Zhang, Yu; Hsung, Richard P.; Zhao, Kang A sequential metal-catalyzed C-N bond formation in the synthesis of 2-amido-indoles. Organic letters 10(19) (2008) 4275-4278 Space group: P 61 Cell volume: 3251.9 Cell parameters: 19.314; 19.314; 10.066; 90; 90; 120;

COD ID: 1507884

Formula: - C46 H71 N3 O7 -
Comments: Tanaka, Naonobu; Suto, Shohei; Ishiyama, Haruaki; Kubota, Takaaki; Yamano, Akihito; Shiro, Motoo; Fromont, Jane; Kobayashi, Jun'ichi Halichonadins K and L, new dimeric sesquiterpenoids from a sponge Halichondria sp. Organic letters 14(13) (2012) 3498-3501
Space group: P 61
Cell volume: 7017.5
Cell parameters: 27.994; 27.994; 10.3401; 90; 90; 120;

COD ID: 1513353
CIF file	Formula: - C12 H19 Br N2 O3 Zn - Comments: Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework. Analytical chemistry 86(2) (2014) 1277-1281 Space group: P 61 Cell volume: 3258.9 Cell parameters: 15.9539; 15.9539; 14.7843; 90; 90; 120;

COD ID: 1514182
CIF file	Formula: - C8 H16 N2 O3 - Comments: Altheimer, Benjamin D; Mehta, Manish A Effects of structural differences on the NMR chemical shifts in isostructural dipeptides. The journal of physical chemistry. A 118(14) (2014) 2618-2628 Space group: P 61 Cell volume: 1808.89 Cell parameters: 14.4465; 14.4465; 10.0082; 90; 90; 120;

COD ID: 1514222

Formula: - C29 H46 O3 -
Comments: Gong, Jun; Sun, Peng; Jiang, Nan; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Gerwick, William H; Zhang, Wen New Steroids with a Rearranged Skeleton as (h)P300 Inhibitors from the Sponge Theonella swinhoei. Organic letters 16(8) (2014) 2224-2227
Space group: P 61
Cell volume: 4012.62
Cell parameters: 26.574; 26.574; 6.5612; 90; 90; 120;

COD ID: 1516077
CIF file	Formula: - C21 H26 N2 O5 - Comments: Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J. The synthesis of melohenine B and a related natural product. Organic letters 14(24) (2012) 6166-6169 Space group: P 61 Cell volume: 2883.3 Cell parameters: 8.268; 8.268; 48.704; 90; 90; 120;

COD ID: 1517832
CIF file	Formula: - Al2 S3 - Comments: Krebs, Bernt; Schiemann, Anke; Lage, Mechtild Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 983-988 Space group: P 61 Cell volume: 642.4 Cell parameters: 6.438; 6.438; 17.898; 90; 90; 120;

COD ID: 1517833
CIF file	Formula: - Al2 S3 - Comments: Krebs, Bernt; Schiemann, Anke; Lage, Mechtild Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 983-988 Space group: P 61 Cell volume: 626.5 Cell parameters: 6.491; 6.491; 17.169; 90; 90; 120;

COD ID: 1527023
CIF file	Formula: - Ga1.2 In0.8 Se3 - Comments: Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O. X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 62 (2000) 16549-16554 Space group: P 61 Cell volume: 784.702 Cell parameters: 6.843; 6.843; 19.35; 90; 90; 120;

COD ID: 1527024
CIF file	Formula: - Ga0.8 In1.2 Se3 - Comments: Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O. X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 62 (2000) 16549-16554 Space group: P 61 Cell volume: 802.395 Cell parameters: 6.985; 6.985; 18.99; 90; 90; 120;

COD ID: 1530689

Formula: - C29 H49 Cl N2 O3 S -
Comments: Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor Organic Process Research & Development 19(11) (2015) 1693
Space group: P 61
Cell volume: 5346.1
Cell parameters: 21.0551; 21.0551; 13.925; 90; 90; 120;

COD ID: 1530882
CIF file	Formula: - Ga2 S3 - Comments: Tomas, A.; Guymont, M.; Pardo, M.P.; Guittard, M.; Famery, R. Determination des structures des formes alpha and beta de Ga2 S3 Materials Research Bulletin 22 (1987) 1549-1554 Space group: P 61 Cell volume: 636.926 Cell parameters: 6.385; 6.385; 18.04; 90; 90; 120;

COD ID: 1536075
CIF file	Formula: - H3 I Li2 O6 - Comments: Jansen, M.; Kraft, T. Li2H3IO6, eine neue Variante der Molybdaenitstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 53-57 Space group: P 61 Cell volume: 670.559 Cell parameters: 5.297; 5.297; 27.596; 90; 90; 120;

COD ID: 1538362
CIF file	Formula: - Ga1.85 Mn0.23 S3 - Comments: Nguyen, H.D.; Pardo, M.P.; Dogguy Smiri, L. Contribution a l'etude du polymorphisme de Ga2 S3: structure cristalline de Mn.23 Ga1.85 S3 Materials Research Bulletin 17 (1982) 293-300 Space group: P 61 Cell volume: 638.862 Cell parameters: 6.397; 6.397; 18.027; 90; 90; 120;

COD ID: 1544313

Formula: - C18 H30 N10 O3 Zn2 -
Comments: Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^N^1^,N^2^:N^3^}(nitrato-κO)dizinc(II)] IUCrData 1(10) (2016) x161626
Space group: P 61
Cell volume: 3528.5
Cell parameters: 9.2437; 9.2437; 47.683; 90; 90; 120;

COD ID: 1544493

Formula: - C26 H40 O10 -
Comments: Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products 79(10) (2016) 2479-2486
Space group: P 61
Cell volume: 4409.31
Cell parameters: 22.8955; 22.8955; 9.7127; 90; 90; 120;

COD ID: 1545971
CIF file	Formula: - C33 H35 N O - Comments: Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence. Organic letters 19(7) (2017) 1520-1523 Space group: P 61 Cell volume: 4049.3 Cell parameters: 21.1037; 21.1037; 10.4985; 90; 90; 120;

COD ID: 1546695

Formula: - C18 H27 Cl2 N O -
Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha N-[(1aR,5aR,8R,9aR)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-8-yl]acetamide IUCrData 2(4) (2017) x170492
Space group: P 61
Cell volume: 2881.92
Cell parameters: 10.5372; 10.5372; 29.971; 90; 90; 120;

COD ID: 1548954

Formula: - C31 H34 O4 S -
Comments: Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration. Chemical science 9(13) (2018) 3305-3312
Space group: P 61
Cell volume: 4405.8
Cell parameters: 21.247; 21.247; 11.2694; 90; 90; 120;

COD ID: 1549376
CIF file	Formula: - C19 H13 Br F3 N O3 S - Comments: Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D. Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis. Chemical science 9(21) (2018) 4909-4918 Space group: P 61 Cell volume: 2847.2 Cell parameters: 16.963; 16.963; 11.4256; 90; 90; 120;

COD ID: 1551076
CIF file	Formula: - C35 H25 Br N2 O2 - Comments: Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles Chemical Science (2019) Space group: P 61 Cell volume: 4327 Cell parameters: 15.0667; 15.0667; 22.0098; 90; 90; 120;

COD ID: 1552572
CIF file	Formula: - C32 H39 F3 N O9 - Comments: Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan. Journal of natural products 82(10) (2019) 2790-2799 Space group: P 61 Cell volume: 4424.1 Cell parameters: 11.4676; 11.4676; 38.8463; 90; 90; 120;

COD ID: 1552608
CIF file	Formula: - C60 H90 N2 O16 - Comments: Long, Yi; Tang, Ting; Wang, Li-Ying; He, Bin; Gao, Kun Absolute Configuration and Biological Activities of Meroterpenoids from an Endophytic Fungus of <i>Lycium barbarum</i>. Journal of natural products 82(8) (2019) 2229-2237 Space group: P 61 Cell volume: 10916.6 Cell parameters: 36.4492; 36.4492; 9.48811; 90; 90; 120;

COD ID: 1553867
CIF file	Formula: - C23 H20 N O2 - Comments: Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols Organic Chemistry Frontiers 4(12) (2017) 2465 Space group: P 61 Cell volume: 2943.2 Cell parameters: 18.5578; 18.5578; 9.8682; 90; 90; 120;

COD ID: 1555280
CIF file	Formula: - C44 H71 N7 O12 - Comments: Ganesh Kumar, Mothukuri; Gopi, Hosahudya N. γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization. Organic letters 17(19) (2015) 4738-4741 Space group: P 61 Cell volume: 7835 Cell parameters: 27.637; 27.637; 11.845; 90; 90; 120;

COD ID: 1555742
CIF file	Formula: - C15 H19 Cl2 N O2 - Comments: Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong Asymmetric Total Synthesis of (-)-Lycospidine A. Organic letters 18(18) (2016) 4682-4685 Space group: P 61 Cell volume: 2696.88 Cell parameters: 14.6129; 14.6129; 14.5834; 90; 90; 120;

COD ID: 1556984

Formula: - C25 H25 N5 O5 -
Comments: Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus Neosartorya fischeri. Journal of natural products 83(1) (2020) 169-173
Space group: P 61
Cell volume: 3500.6
Cell parameters: 13.718; 13.718; 21.48; 90; 90; 120;

COD ID: 1559731

Formula: - C55.17 H44.33 N4 O P Zn -
Comments: Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak A chiroptical approach for the absolute stereochemical determination of P-stereogenic centers. Chemical science 12(5) (2020) 1750-1755
Space group: P 61
Cell volume: 7042.4
Cell parameters: 28.129; 28.129; 10.2773; 90; 90; 120;

COD ID: 1562339
CIF file	Formula: - C40 H52 O11 - Comments: Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>. Journal of natural products (2021) Space group: P 61 Cell volume: 5483.4 Cell parameters: 10.56998; 10.56998; 56.6723; 90; 90; 120;

COD ID: 1563273

Formula: - C36 H38 Cl Ir N4 -
Comments: Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation Chemical Science (2021)
Space group: P 61
Cell volume: 7143.7
Cell parameters: 26.9599; 26.9599; 11.349; 90; 90; 120;

COD ID: 1564371

Formula: - C29 H65 N3 O13 P3 Tb -
Comments: Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers Chemical Science (2021)
Space group: P 61
Cell volume: 5921.7
Cell parameters: 17.031; 17.031; 23.5742; 90; 90; 120;

COD ID: 1564868

Formula: - C9 H21 Mo N3 O S4 -
Comments: Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes Inorganica Chimica Acta 507 (2020) 119599
Space group: P 61
Cell volume: 2362
Cell parameters: 8.673; 8.673; 36.26; 90; 90; 120;

COD ID: 1564960
CIF file	Formula: - C34 H40 B Cu S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 61 Cell volume: 4688.2 Cell parameters: 10.7164; 10.7164; 47.139; 90; 90; 120;

COD ID: 1565106

Formula: - C28 H28 N2 O4 S -
Comments: Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K. Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination Chemical Science (2021)
Space group: P 61
Cell volume: 4059.42
Cell parameters: 22.7073; 22.7073; 9.0908; 90; 90; 120;

COD ID: 1565712

Formula: - C26 H26 N4 O4 Ru -
Comments: Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B. An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations Inorganica Chimica Acta 499 (2020) 119193
Space group: P 61
Cell volume: 3734.62
Cell parameters: 10.6783; 10.6783; 37.8191; 90; 90; 120;

COD ID: 1565837
CIF file	Formula: - C25 H20 O4 - Comments: Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science 13(4) (2022) 1163-1168 Space group: P 61 Cell volume: 3144.36 Cell parameters: 17.6742; 17.6742; 11.6231; 90; 90; 120;

COD ID: 1566353
CIF file	Formula: - C20 H31 F N2 O4 - Comments: Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science (2022) Space group: P 61 Cell volume: 3305.73 Cell parameters: 11.8419; 11.8419; 27.2204; 90; 90; 120;

COD ID: 1566356
CIF file	Formula: - C20 H32 N2 O4 - Comments: Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N. Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction Chemical Science (2022) Space group: P 61 Cell volume: 3281.9 Cell parameters: 11.84105; 11.84105; 27.02804; 90; 90; 120;

COD ID: 1567984

Formula: - C22 H24 -
Comments: Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids Chemical Science (2022)
Space group: P 61
Cell volume: 2635.95
Cell parameters: 17.4778; 17.4778; 9.964; 90; 90; 120;

COD ID: 2000520

Formula: - C19 H26 Cl Cu N3 O7 -
Comments: Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. III. Structures of (L-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(L-tyrosinato)copper(II) chloride trihydrate Acta Crystallographica Section C 48(10) (1992) 1785-1788
Space group: P 61
Cell volume: 3333.1
Cell parameters: 9.307; 9.307; 44.432; 90; 90; 120;

COD ID: 2004268
CIF file Original IUCr paper	Formula: - C24 H40 Co N5 O4 - Comments: Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H. The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State Acta Crystallographica Section C 51(12) (1995) 2522-2524 Space group: P 61 Cell volume: 4119.8 Cell parameters: 12.017; 12.017; 32.942; 90; 90; 120;

COD ID: 2004579

Formula: - C30 H28 N4 Ni O5 -
Comments: Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M. Two 2,5-Dihydroxy-1,4-benzoquinonate-O,O'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine) Acta Crystallographica Section C 52(3) (1996) 561-566
Space group: P 61
Cell volume: 4253.9
Cell parameters: 12.942; 12.942; 29.326; 90; 90; 120;

COD ID: 2005170
CIF file Original IUCr paper	Formula: - C8 H16 N2 O3 - Comments: Görbitz, C. H.; Gundersen, E. <small>L</small>-Valyl-<small>L</small>-alanine Acta Crystallographica Section C 52(7) (1996) 1764-1767 Space group: P 61 Cell volume: 1801.1 Cell parameters: 14.424; 14.424; 9.996; 90; 90; 120;

COD ID: 2005376
CIF file Original IUCr paper	Formula: - C26 H36 O9 - Comments: Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T. 21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate Acta Crystallographica Section C 52(9) (1996) 2288-2290 Space group: P 61 Cell volume: 3822 Cell parameters: 17.172; 17.172; 14.965; 90; 90; 120;

COD ID: 2009721
CIF file Original IUCr paper	Formula: - C21 H30 O2 - Comments: Puliti, R.; De Rosa, S.; Mattia, C. A. Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i> Acta Crystallographica Section C 50(5) (1994) 830-833 Space group: P 61 Cell volume: 2863.4 Cell parameters: 21.938; 21.938; 6.87; 90; 90; 120;

COD ID: 2013579

Formula: - C8 H16 N2 O3 S -
Comments: Görbitz, Carl Henrik L-Methionyl-L-alanine: a dipeptide with hexagonal symmetry and Z' = 7 Acta Crystallographica Section C 59(10) (2003) o589-o592
Space group: P 61
Cell volume: 11859.6
Cell parameters: 37.6488; 37.6488; 9.6613; 90; 90; 120;

COD ID: 2015632

Formula: - C5 H8 Co N2 O8.72 -
Comments: Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali catena-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate] Acta Crystallographica Section C 62(11) (2006) m513-m515
Space group: P 61
Cell volume: 1550.9
Cell parameters: 13.4646; 13.4646; 9.8777; 90; 90; 120;

COD ID: 2018557

Formula: - C22 H28 O8 -
Comments: Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from Pleurothyrium cinereum (Lauraceae) Acta Crystallographica Section C 68(8) (2012) o320-o322
Space group: P 61
Cell volume: 3231.9
Cell parameters: 18.2223; 18.2223; 11.2387; 90; 90; 120;

COD ID: 2019777

Formula: - C11 H13 N3 O -
Comments: Mnguni, Malitsatsi J.; Lemmerer, Andreas A structural study of 4-aminoantipyrine and six of its Schiff base derivatives Acta Crystallographica Section C 71(2) (2015)
Space group: P 61
Cell volume: 1532.69
Cell parameters: 7.4519; 7.4519; 31.8705; 90; 90; 120;

COD ID: 2019896

Formula: - C16 H15.5 Cd2 N12 O5.75 -
Comments: Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains Acta Crystallographica Section C 71(4) (2015)
Space group: P 61
Cell volume: 3845.3
Cell parameters: 13.3384; 13.3384; 24.957; 90; 90; 120;

COD ID: 2021264

Formula: - C36 H25 Eu N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 61
Cell volume: 5422
Cell parameters: 14.981; 14.981; 27.897; 90; 90; 120;

COD ID: 2021266

Formula: - C36 H25 Gd N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 61
Cell volume: 5425.5
Cell parameters: 14.9709; 14.9709; 27.952; 90; 90; 120;

COD ID: 2021268

Formula: - C36 H25 Dy N6 O14 -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 61
Cell volume: 5378.2
Cell parameters: 14.9066; 14.9066; 27.948; 90; 90; 120;

COD ID: 2021270

Formula: - C36 H25 N6 O14 Tb -
Comments: Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand Acta Crystallographica Section C 74(11) (2018)
Space group: P 61
Cell volume: 5423.3
Cell parameters: 14.962; 14.962; 27.974; 90; 90; 120;

COD ID: 2100579
CIF file Original IUCr paper	Formula: - C15 H18 O6 - Comments: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B 62(2) (2006) 864-874 Space group: P 61 Cell volume: 2265.18 Cell parameters: 11.3588; 11.3588; 20.2725; 90; 90; 120;

COD ID: 2100990
CIF file Original IUCr paper	Formula: - C4 H12 Br3 Cd N - Comments: Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T. X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB) Acta Crystallographica Section B 49(4) (1993) 691-698 Space group: P 61 Cell volume: 1535.4 Cell parameters: 9.219; 9.219; 20.86; 90; 90; 120;

COD ID: 2102921
CIF file Original IUCr paper	Formula: - B2 H8 Mg - Comments: Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~ Acta Crystallographica Section B 63(4) (2007) 561-568 Space group: P 61 Cell volume: 3434.8 Cell parameters: 10.3414; 10.3414; 37.086; 90; 90; 120;

COD ID: 2103452

Formula: - C8.7 H17.05 N2.35 O3 -
Comments: Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B 58(5) (2002) 849-854
Space group: P 61
Cell volume: 1714.74
Cell parameters: 14.1635; 14.1635; 9.8702; 90; 90; 120;

COD ID: 2103453

Formula: - C8 H16 N2 O3 -
Comments: Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B 58(5) (2002) 849-854
Space group: P 61
Cell volume: 1753.53
Cell parameters: 14.2957; 14.2957; 9.9077; 90; 90; 120;

COD ID: 2103454

Formula: - C10 H16 N2 O3 -
Comments: Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B 58(5) (2002) 849-854
Space group: P 61
Cell volume: 1755.7
Cell parameters: 14.3102; 14.3102; 9.8997; 90; 90; 120;

COD ID: 2103455

Formula: - C8.51 H15.6 N2 O3.44 -
Comments: Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B 58(5) (2002) 849-854
Space group: P 61
Cell volume: 7074.8
Cell parameters: 28.7247; 28.7247; 9.9009; 90; 90; 120;

COD ID: 2105528
CIF file Original IUCr paper	Formula: - C24 H39 N O3 - Comments: Maurin, J. K. Oxime‒Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes' Acta Crystallographica Section B 54(6) (1998) 866-871 Space group: P 61 Cell volume: 3725.7 Cell parameters: 14.564; 14.564; 20.282; 90; 90; 120;

COD ID: 2105591

Formula: - C32 H36 N2 Ni O8 -
Comments: Główka, M. L.; Olczak, A.; Karolak-Wojciechowska, J.; Ciechanowska-Urbańska, E. Classification and Distortion in Six-Coordinate Bis(salicylaldiminato)nickel(II) Complexes: Crystal Structure of Bis[2-[[(2-hydroxyphenyl)methylene]amino]-1-phenyl-1,3-propanediolato]nickel(II).2H~2~O Acta Crystallographica Section B 54(3) (1998) 250-256
Space group: P 61
Cell volume: 4838.5
Cell parameters: 18.498; 18.498; 16.328; 90; 90; 120;

COD ID: 2106212

Formula: - C4 H2 Cs2 N4 O Pt -
Comments: Johnson, P.L.; Koch, T.R.; Williams, J.M. Structural studies of precursor and partially oxidized conducting complexes. VI. A neutron diffraction study of dicesium tetracyano-platinate(II) monohydrate Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1293-1295
Space group: P 61
Cell volume: 1579.08
Cell parameters: 9.709; 9.709; 19.343; 90; 90; 120;

COD ID: 2106380
CIF file	Formula: - In2 Se3 - Comments: Likforman, A.; Hillel, R.; Carre, D. Structure cristalline du seleniure d'indium In2 Se3 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1-5 Space group: P 61 Cell volume: 846.694 Cell parameters: 7.11; 7.11; 19.34; 90; 90; 120;

COD ID: 2107320
CIF file	Formula: - Ba H2 N2 O5 - Comments: Thomas, P.A.; Gomez, E. Absolute chirality and crystal structure of barium nitrite monohydrate, Ba (N O2)2 (H2 O) Acta Crystallographica B (39,1983-) 45 (1989) 348-355 Space group: P 61 Cell volume: 774.253 Cell parameters: 7.07; 7.07; 17.886; 90; 90; 120;

COD ID: 2201003

Formula: - C19 H17 Cl N2 O3 -
Comments: Višnjevac, Aleksandar; Avdagić, Amir; Kojić-Prodić, Biserka 3(S)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Acta Crystallographica Section E 58(2) (2002) o148-o150
Space group: P 61
Cell volume: 2592
Cell parameters: 11.075; 11.075; 24.4; 90; 90; 120;

COD ID: 2209906

Formula: - C16 H30 O5 -
Comments: Xiao-Lan Wang; Shu-Lin Peng; Jian Liang; Kai-Bei Yu (3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol methanol solvate: a new sesquiterpenoid from Chrysanthemum indicum L. Acta Crystallographica Section E 62(8) (2006) o3570-o3571
Space group: P 61
Cell volume: 2486.8
Cell parameters: 9.9315; 9.9315; 29.113; 90; 90; 120;

COD ID: 2212583

Formula: - C16 H17 Cl O2 Sn -
Comments: Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng A hexagonal modification of catena-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^O:O'] Acta Crystallographica Section E 63(3) (2007) m913-m914
Space group: P 61
Cell volume: 2615.28
Cell parameters: 10.8105; 10.8105; 25.8402; 90; 90; 120;

COD ID: 2214505

Formula: - C10 H18 N2 O9 S Zn -
Comments: Ng, Seik Weng A reinvestigation of the space group of catena-poly[[[triaqua(sulfato-κO)zinc(II)]-{μ}-4,4'-bipyridine-κ^2^N:N'] dihydrate] Acta Crystallographica Section E 63(8) (2007) m2225-m2226
Space group: P 61
Cell volume: 2367.27
Cell parameters: 11.4275; 11.4275; 20.9322; 90; 90; 120;

COD ID: 2214614

Formula: - C19 H22 I N -
Comments: Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis (3R,4S)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide Acta Crystallographica Section E 63(8) (2007) o3355-o3355
Space group: P 61
Cell volume: 2699
Cell parameters: 9.773; 9.773; 32.63; 90; 90; 120;

COD ID: 2216482

Formula: - C18 H14 I N O4 -
Comments: Wu, Zhou; Shen, Peng; Jiang, Shende (S)-Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate Acta Crystallographica Section E 63(12) (2007) o4871-o4871
Space group: P 61
Cell volume: 2621.3
Cell parameters: 10.1246; 10.1246; 29.528; 90; 90; 120;

COD ID: 2226088

Formula: - C35 H42 O14 -
Comments: Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha Xyloccensin E Acta Crystallographica Section E 66(6) (2010) o1348-o1349
Space group: P 61
Cell volume: 5364.1
Cell parameters: 17.7635; 17.7635; 19.6294; 90; 90; 120;

COD ID: 2228742

Formula: - C18 H20 N2 O -
Comments: Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M. (S)-N-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Acta Crystallographica Section E 67(1) (2011) o67
Space group: P 61
Cell volume: 2332.1
Cell parameters: 10.1838; 10.1838; 25.965; 90; 90; 120;

COD ID: 2229228

Formula: - C28 H24 N4 O4 -
Comments: Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías 1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one Acta Crystallographica Section E 67(2) (2011) o308-o309
Space group: P 61
Cell volume: 3896.2
Cell parameters: 20.753; 20.753; 10.446; 90; 90; 120;

COD ID: 2230280

Formula: - C13 H21 N O8 -
Comments: Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin 1,2;5,6-Di-O-isopropylidene-3-C-nitromethyl-α-D-allofuranose Acta Crystallographica Section E 67(6) (2011) o1402
Space group: P 61
Cell volume: 2506
Cell parameters: 13.2581; 13.2581; 16.462; 90; 90; 120;

COD ID: 2231406

Formula: - C50 H70 Br2 Cu3 N10 O6 -
Comments: Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate Acta Crystallographica Section E 67(9) (2011) m1197-m1198
Space group: P 61
Cell volume: 8597.4
Cell parameters: 18.745; 18.745; 28.2531; 90; 90; 120;

COD ID: 2233368

Formula: - C3 H4 N2 O2 S -
Comments: Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju 5-Methoxy-1,3,4-thiadiazol-2(3H)-one Acta Crystallographica Section E 68(2) (2012) o475
Space group: P 61
Cell volume: 2476.3
Cell parameters: 11.924; 11.924; 20.111; 90; 90; 120;

COD ID: 2234816

Formula: - C15.33 H21.67 N O -
Comments: Berger, Matthias; Bats, Jan W.; Auner, Norbert N-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate Acta Crystallographica Section E 68(5) (2012) o1565
Space group: P 61
Cell volume: 2092.15
Cell parameters: 16.9133; 16.9133; 8.4451; 90; 90; 120;

COD ID: 2237708

Formula: - C14 H16 Cl N O2 -
Comments: Jin, Xiu-Dan; Wu, Jin-Long 2-(2-Chlorophenyl)-N-cyclohexyl-2-oxoacetamide Acta Crystallographica Section E 69(4) (2013) o505
Space group: P 61
Cell volume: 2387
Cell parameters: 17.075; 17.075; 9.4536; 90; 90; 120;

COD ID: 2238695
CIF file Original IUCr paper	Formula: - C7 H13 N O - Comments: Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle (<i>R</i>)-({-})-Quinuclidin-3-ol Acta Crystallographica Section E 69(11) (2013) o1672 Space group: P 61 Cell volume: 996.92 Cell parameters: 6.2076; 6.2076; 29.8731; 90; 90; 120;

COD ID: 2240190
CIF file HKL data	Formula: - C14 H13 Cl N2 O2 S - Comments: Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P. Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph Acta Crystallographica Section E 70(12) (2014) o1250-o1251 Space group: P 61 Cell volume: 2203.71 Cell parameters: 10.8907; 10.8907; 21.4542; 90; 90; 120;

COD ID: 3000010
CIF file	Formula: - K4 O7 P2 - Comments: Armel Le Bail; Thomas Hansen; Wilson A. Crichton Tetrapotassium pyrophosphates gamma and delta-K4P2O7 Powder Diffraction 28 (2013) 2-12 Space group: P 61 Cell volume: 3855.59 Cell parameters: 10.21145; 10.21145; 42.6958; 90; 90; 120;

COD ID: 4000975

Formula: - C11 H44 In6 N11 Te9 -
Comments: Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G. A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation Chemistry of Materials 21(1) (2009) 12
Space group: P 61
Cell volume: 6064.9
Cell parameters: 11.6147; 11.6147; 51.9135; 90; 90; 120;

COD ID: 4020882
CIF file	Formula: - C42 H42 O9 - Comments: Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles Journal of Organic Chemistry 69 (2004) 2526-2531 Space group: P 61 Cell volume: 5483.9 Cell parameters: 16.367; 16.367; 23.64; 90; 90; 120;

COD ID: 4021070
CIF file	Formula: - C44 H34 Co F6 N O3 Pd - Comments: Stefan F. Kirsch; Larry E. Overman; Mary P. Watson Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates Journal of Organic Chemistry 69 (2004) 8101-8104 Space group: P 61 Cell volume: 5685.2 Cell parameters: 11.4413; 11.4413; 50.149; 90; 90; 120;

COD ID: 4021497
CIF file	Formula: - C14 H25 Cl O - Comments: R. Brandon Miles; Chad E. Davis; Robert M. Coates Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids Journal of Organic Chemistry 71 (2006) 1493-1501 Space group: P 61 Cell volume: 6613 Cell parameters: 12.447; 12.447; 49.29; 90; 90; 120;

COD ID: 4023244
CIF file	Formula: - C23 H22 N4 - Comments: Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity Investigation of a Flexible Enantiospecific Approach to Aziridines Journal of Organic Chemistry 73 (2008) 1128-1130 Space group: P 61 Cell volume: 2826.4 Cell parameters: 8.9977; 8.9977; 40.312; 90; 90; 120;

COD ID: 4027637
CIF file	Formula: - C40 H42 Br N O7 Si - Comments: Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard Total Synthesis of Pactamycin and Pactamycate: A Detailed Account Journal of Organic Chemistry 77 (2012) 9458-9472 Space group: P 61 Cell volume: 5754 Cell parameters: 26.146; 26.146; 9.7191; 90; 90; 120;

COD ID: 4030770
CIF file	Formula: - C27 H22 Br N O6 - Comments: Peris, Gorka; Vedejs, Edwin Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a. The Journal of organic chemistry 80(6) (2015) 3050-3057 Space group: P 61 Cell volume: 3591.4 Cell parameters: 8.5221; 8.5221; 57.101; 90; 90; 120;

COD ID: 4030984

Formula: - C14 H17 F3 N2 O2 -
Comments: Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A. Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers. The Journal of organic chemistry 80(11) (2015) 5415-5427
Space group: P 61
Cell volume: 2375.2
Cell parameters: 15.74885; 15.74885; 11.05787; 90; 90; 120;

COD ID: 4033666

Formula: - C25.75 H30 O -
Comments: Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres. The Journal of organic chemistry (2019)
Space group: P 61
Cell volume: 3268.8
Cell parameters: 23.9466; 23.9466; 6.5821; 90; 90; 120;

COD ID: 4034074

Formula: - C17 H25 N3 O2 -
Comments: Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A Pd-Mediated γ-C(sp3)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group. The Journal of organic chemistry 84(20) (2019) 12809-12834
Space group: P 61
Cell volume: 2571.18
Cell parameters: 10.6027; 10.6027; 26.41; 90; 90; 120;

COD ID: 4034621

Formula: - C19 H23 Cl N O4 P S -
Comments: Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S. Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides. The Journal of organic chemistry 84(11) (2019) 7291-7302
Space group: P 61
Cell volume: 3227.25
Cell parameters: 12.8491; 12.8491; 22.5713; 90; 90; 120;

COD ID: 4036295

Formula: - C22 H29 Cl2 F N2 O3 S -
Comments: Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R. Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams. The Journal of organic chemistry 80(20) (2015) 9926-9941
Space group: P 61
Cell volume: 7340.6
Cell parameters: 12.5299; 12.5299; 53.989; 90; 90; 120;

COD ID: 4036783

Formula: - C18 H42 N4 O5 Si2 -
Comments: Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes. The Journal of organic chemistry 81(11) (2016) 4633-4644
Space group: P 61
Cell volume: 4022.6
Cell parameters: 10.0635; 10.0635; 45.865; 90; 90; 120;

COD ID: 4037416

Formula: - C26 H28 N4 O6 -
Comments: Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths. The Journal of organic chemistry 81(23) (2016) 11802-11812
Space group: P 61
Cell volume: 4054
Cell parameters: 28.49; 28.49; 5.767; 90; 90; 120;

COD ID: 4038484
CIF file	Formula: - C17 H18 O3 - Comments: Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester. The Journal of organic chemistry (2020) Space group: P 61 Cell volume: 2104.8 Cell parameters: 8.6843; 8.6843; 32.226; 90; 90; 120;

COD ID: 4062390
CIF file	Formula: - C28 H42 N4 Ti - Comments: Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F. Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand Organometallics 22(24) (2003) 4999-5010 Space group: P 61 Cell volume: 4041 Cell parameters: 8.436; 8.436; 65.573; 90; 90; 120;

COD ID: 4067311

Formula: - C29 H31 B F4 N4 O2 Pd2 -
Comments: Ficks, Arne; Sibbald, Connor; John, Michael; Dechert, Sebastian; Meyer, Franc Dinuclear Allylpalladium Complexes ofC2-Symmetric Pyrazolate-Bridged Bis(oxazoline) Ligands (pyrbox's): Structures, Dynamic Behavior, and Application in Asymmetric Allylic Alkylation Organometallics 29(5) (2010) 1117
Space group: P 61
Cell volume: 4434.5
Cell parameters: 13.5487; 13.5487; 27.8944; 90; 90; 120;

COD ID: 4073408

Formula: - C32 H40 Se2 U -
Comments: Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2 Organometallics 26(14) (2007) 3568
Space group: P 61
Cell volume: 4545.1
Cell parameters: 12.7763; 12.7763; 32.1519; 90; 90; 120;

COD ID: 4078158
CIF file	Formula: - C32 H44 Cl Ir N2 - Comments: Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups Organometallics 31(8) (2012) 3373 Space group: P 61 Cell volume: 4557.7 Cell parameters: 22.584; 22.584; 10.3184; 90; 90; 120;

COD ID: 4078931

Formula: - C65 H88 F6 O7 P4 Pt S2 -
Comments: Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L. Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes Organometallics 31(15) (2012) 5573
Space group: P 61
Cell volume: 10391.2
Cell parameters: 13.4616; 13.4616; 66.2129; 90; 90; 120;

COD ID: 4081509
CIF file	Formula: - C24 H23 Fe N O S - Comments: Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder Stereoselective Ortho Borylation of Pyridylferrocenes Organometallics 32(20) (2013) 5843 Space group: P 61 Cell volume: 2900.7 Cell parameters: 9.142; 9.142; 40.0765; 90; 90; 120;

COD ID: 4081510
CIF file	Formula: - C20 H25 Fe N Sn - Comments: Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder Stereoselective Ortho Borylation of Pyridylferrocenes Organometallics 32(20) (2013) 5843 Space group: P 61 Cell volume: 2872.21 Cell parameters: 10.0515; 10.0515; 32.8264; 90; 90; 120;

COD ID: 4085128
CIF file	Formula: - C26 H33 Bi N2 - Comments: Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J. Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes Organometallics 34(1) (2015) 395 Space group: P 61 Cell volume: 3546.4 Cell parameters: 9.7269; 9.7269; 43.282; 90; 90; 120;

COD ID: 4100870
CIF file	Formula: - C21 H28 N6 O9 - Comments: Wilson, Scott R.; Prussak-Wieckowska, Teresa Journal of the American Chemical Society (2005) Space group: P 61 Cell volume: 4824.8 Cell parameters: 13.3588; 13.3588; 31.219; 90; 90; 120;

COD ID: 4101210
CIF file	Formula: - C18 H33 N O4 - Comments: Journal of the American Chemical Society (2006) Space group: P 61 Cell volume: 3007.4 Cell parameters: 10.29; 10.29; 32.797; 90; 90; 120;

COD ID: 4101257

Formula: - C10 H20 N2 O3 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 61
Cell volume: 1904.3
Cell parameters: 14.573; 14.573; 10.354; 90; 90; 120;

COD ID: 4101258

Formula: - C11 H22 N2 O3 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 61
Cell volume: 1950.6
Cell parameters: 14.774; 14.774; 10.319; 90; 90; 120;

COD ID: 4101260

Formula: - C11 H22 N2 O3 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 61
Cell volume: 1973.6
Cell parameters: 14.871; 14.871; 10.305; 90; 90; 120;

COD ID: 4101261

Formula: - C9 H18 N2 O3 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 61
Cell volume: 1822.8
Cell parameters: 14.481; 14.481; 10.037; 90; 90; 120;

COD ID: 4101262

Formula: - C9 H18 N2 O3 -
Comments: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society 128(20) (2006) 6737-6744
Space group: P 61
Cell volume: 1800.2
Cell parameters: 14.261; 14.261; 10.221; 90; 90; 120;

COD ID: 4101813
CIF file	Formula: - C30 H53 N5 O8 - Comments: Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hydrophobic Peptide Channels and Encapsulated Water Wires Journal of the American Chemical Society 132 (2010) 1075-1086 Space group: P 61 Cell volume: 5502.3 Cell parameters: 24.4102; 24.4102; 10.6627; 90; 90; 120;

COD ID: 4101814
CIF file	Formula: - C29 H51 N5 O8.17 - Comments: Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hydrophobic Peptide Channels and Encapsulated Water Wires Journal of the American Chemical Society 132 (2010) 1075-1086 Space group: P 61 Cell volume: 5391.6 Cell parameters: 24.3645; 24.3645; 10.4875; 90; 90; 120;

COD ID: 4102810

Formula: - C52 H78 N8 O2 -
Comments: Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones Journal of the American Chemical Society 132 (2010) 10650-10651
Space group: P 61
Cell volume: 7344.5
Cell parameters: 10.7895; 10.7895; 72.85; 90; 90; 120;

COD ID: 4103383

Formula: - C21 H29 B F4 N2 Pd -
Comments: Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover Journal of the American Chemical Society 132 (2010) 15116-15119
Space group: P 61
Cell volume: 3711.54
Cell parameters: 18.9952; 18.9952; 11.8778; 90; 90; 120;

COD ID: 4107065
CIF file	Formula: - C11 H15 Cl N2 O4 Zn - Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958 Space group: P 61 Cell volume: 2862.7 Cell parameters: 17.691; 17.691; 10.5617; 90; 90; 120;

COD ID: 4107066
CIF file	Formula: - C11 H15 Br N2 O4 Zn - Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958 Space group: P 61 Cell volume: 2865.2 Cell parameters: 17.768; 17.768; 10.4796; 90; 90; 120;

COD ID: 4107069
CIF file	Formula: - C11 H15 Cl N2 O2 Zn - Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958 Space group: P 61 Cell volume: 2873 Cell parameters: 17.7661; 17.7661; 10.5104; 90; 90; 120;

COD ID: 4107070
CIF file	Formula: - C11 H15 Br N2 O2 Zn - Comments: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society 133 (2011) 17950-17958 Space group: P 61 Cell volume: 2901.1 Cell parameters: 17.859; 17.859; 10.5031; 90; 90; 120;

COD ID: 4109216

Formula: - C38 H31 N3 O4 Pd -
Comments: Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds Journal of the American Chemical Society 129 (2007) 3512-3513
Space group: P 61
Cell volume: 5078.3
Cell parameters: 23.268; 23.268; 10.831; 90; 90; 120;

COD ID: 4109569

Formula: - C41.33 H62.67 Cl3 N2 O0.33 P Ru -
Comments: Marisa L. Macnaughtan; Marc J. A. Johnson; Jeff W. Kampf Olefin Metathesis Reactions with Vinyl Halides: Formation, Observation, Interception, and Fate of the Ruthenium-Monohalomethylidene Moiety Journal of the American Chemical Society 129 (2007) 7708-7709
Space group: P 61
Cell volume: 6780.3
Cell parameters: 20.7728; 20.7728; 18.1437; 90; 90; 120;

COD ID: 4110475

Formula: - C23.83 H46 N2 Zr -
Comments: Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers Journal of the American Chemical Society 128 (2006) 3420-3432
Space group: P 61
Cell volume: 3865.37
Cell parameters: 22.4585; 22.4585; 8.8491; 90; 90; 120;

COD ID: 4111591

Formula: - C12 H26 O4 Si -
Comments: Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides Journal of the American Chemical Society 127 (2005) 4586-4587
Space group: P 61
Cell volume: 2446.58
Cell parameters: 20.1923; 20.1923; 6.9288; 90; 90; 120;

COD ID: 4115392
CIF file	Formula: - C61 H50 Cl2 N2 O4 Ti - Comments: Yu Yuan; Xin Li; Jie Sun; Kuiling Ding To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems Journal of the American Chemical Society 124 (2002) 14866-14867 Space group: P 61 Cell volume: 7511.1 Cell parameters: 13.1301; 13.1301; 50.308; 90; 90; 120;

COD ID: 4115425
CIF file	Formula: - C53 H50 Ag2 Cl2 N4 O11 Pt2 - Comments: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the PtρightarrowAg Dative Bond Journal of the American Chemical Society 123 (2001) 743-744 Space group: P 61 Cell volume: 7898.1 Cell parameters: 14.805; 14.805; 41.608; 90; 90; 120;

COD ID: 4116197

Formula: - C32 H57 N5 O9 -
Comments: Hiroshi Kogen; Toshihiro Kiho; Mizuka Nakayama; Youji Furukawa; Takeshi Kinoshita; Masatoshi Inukai Crystal Structure and Total Synthesis of Globomycin: Establishment of Relative and Absolute Configurations Journal of the American Chemical Society 122 (2000) 10214-10215
Space group: P 61
Cell volume: 6107
Cell parameters: 26.711; 26.711; 9.884; 90; 90; 120;

COD ID: 4119822
CIF file	Formula: - C51 H62 Br2 Cu N2 O2 - Comments: Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes Journal of the American Chemical Society 135 (2013) 7851-7854 Space group: P 61 Cell volume: 7803 Cell parameters: 22.604; 22.604; 17.635; 90; 90; 120;

COD ID: 4120104

Formula: - C25 H31 Co2 N3 O14 -
Comments: Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society 135 (2013) 10214-10217
Space group: P 61
Cell volume: 4694.9
Cell parameters: 15.9288; 15.9288; 21.3663; 90; 90; 120;

COD ID: 4120105

Formula: - C25 H21 Co2 N3 O9 -
Comments: Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society 135 (2013) 10214-10217
Space group: P 61
Cell volume: 4670.8
Cell parameters: 15.8831; 15.8831; 21.3791; 90; 90; 120;

COD ID: 4120106

Formula: - C25 H19 Co2 N3 O8 -
Comments: Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society 135 (2013) 10214-10217
Space group: P 61
Cell volume: 4632.5
Cell parameters: 15.6888; 15.6888; 21.7323; 90; 90; 120;

COD ID: 4120107

Formula: - C25 H31 Co2 N3 O14 -
Comments: Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society 135 (2013) 10214-10217
Space group: P 61
Cell volume: 4693.1
Cell parameters: 15.9363; 15.9363; 21.338; 90; 90; 120;

COD ID: 4122021

Formula: - C16 H15 Cl F N O -
Comments: Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C. Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies. Journal of the American Chemical Society 136(25) (2014) 8899-8902
Space group: P 61
Cell volume: 2201.1
Cell parameters: 21.7099; 21.7099; 5.3925; 90; 90; 120;

COD ID: 4122515

Formula: - C12 H18 O7 Sm -
Comments: Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society 136(36) (2014) 12572-12575
Space group: P 61
Cell volume: 2206.37
Cell parameters: 10.9566; 10.9566; 21.2225; 90; 90; 120;

COD ID: 4123347

Formula: - C41.52 H38.08 Co2 N1.64 O12.35 S4 -
Comments: Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks. Journal of the American Chemical Society 137(5) (2015) 1774-1777
Space group: P 61
Cell volume: 6778.9
Cell parameters: 19.3867; 19.3867; 20.8268; 90; 90; 120;

COD ID: 4123645
CIF file	Formula: - C38 H59 Br N4 O7 - Comments: Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H. Heterogeneous h-bonding in a foldamer helix. Journal of the American Chemical Society 137(20) (2015) 6484-6487 Space group: P 61 Cell volume: 6246.3 Cell parameters: 25.5011; 25.5011; 11.0911; 90; 90; 120;

COD ID: 4125976

Formula: - C39 H59 Mo N5 -
Comments: Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J. Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand. Journal of the American Chemical Society 139(17) (2017) 6110-6113
Space group: P 61
Cell volume: 7743.08
Cell parameters: 16.659; 16.659; 32.217; 90; 90; 120;

COD ID: 4126014
CIF file	Formula: - C19 H24 O4 - Comments: Yu, Songjie; Wu, Caizhi; Ge, Shaozhong Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane. Journal of the American Chemical Society 139(19) (2017) 6526-6529 Space group: P 61 Cell volume: 2484.16 Cell parameters: 20.4847; 20.4847; 6.8358; 90; 90; 120;

COD ID: 4128193

Formula: - C191 H132 Au10 F12 O6 P8 -
Comments: Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters. Journal of the American Chemical Society 141(6) (2019) 2384-2390
Space group: P 61
Cell volume: 30461.9
Cell parameters: 19.467; 19.467; 92.8172; 90; 90; 120;

COD ID: 4128251

Formula: - C54 H58 F N O19 S -
Comments: Lo, Hong-Jay; Krasnova, Larissa; Dey, Supriya; Cheng, Ting; Liu, Haitian; Tsai, Tsung-I; Wu, Kevin Binchia; Wu, Chung-Yi; Wong, Chi-Huey Synthesis of Sialidase-Resistant Oligosaccharide and Antibody Glycoform Containing α2,6-Linked 3Fax-Neu5Ac. Journal of the American Chemical Society 141(16) (2019) 6484-6488
Space group: P 61
Cell volume: 8842
Cell parameters: 21.1703; 21.1703; 22.7806; 90; 90; 120;

COD ID: 4129092
CIF file	Formula: - C27 H25 Cl F3 N3 O3 - Comments: Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J. Catalytic Enantioselective Pyridine N-Oxidation. Journal of the American Chemical Society (2019) Space group: P 61 Cell volume: 3701.43 Cell parameters: 13.6637; 13.6637; 22.893; 90; 90; 120;

COD ID: 4130094

Formula: - C18 H22 F5 N O3 -
Comments: Mahender Reddy, Karla; Bhimireddy, Eswar; Thirupathi, Barla; Breitler, Simon; Yu, Shunming; Corey, E. J. Cationic Chiral Fluorinated Oxazaborolidines. More Potent, Second-Generation Catalysts for Highly Enantioselective Cycloaddition Reactions. Journal of the American Chemical Society 138(7) (2016) 2443-2453
Space group: P 61
Cell volume: 2844.51
Cell parameters: 9.8252; 9.8252; 34.0247; 90; 90; 120;

COD ID: 4131241

Formula: - C3 H12 Cu3 I3 N6 S3 -
Comments: Ye, Senyun; Rao, Haixia; Zhao, Ziran; Zhang, Linjuan; Bao, Hongliang; Sun, Weihai; Li, Yunlong; Gu, Feidan; Wang, Jianqiang; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui A Breakthrough Efficiency of 19.9% Obtained in Inverted Perovskite Solar Cells by Using an Efficient Trap State Passivator Cu(thiourea)I. Journal of the American Chemical Society 139(22) (2017) 7504-7512
Space group: P 61
Cell volume: 2686.91
Cell parameters: 12.46018; 12.46018; 19.9836; 90; 90; 120;

COD ID: 4132264
CIF file	Formula: - C27 H40 O7 - Comments: Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang Asymmetric Total Synthesis of Cyclocitrinol. Journal of the American Chemical Society 140(16) (2018) 5365-5369 Space group: P 61 Cell volume: 3819.82 Cell parameters: 11.3308; 11.3308; 34.3551; 90; 90; 120;

COD ID: 4135367

Formula: - C32 H22 Mn2 Ni O10 S4 -
Comments: Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor. Journal of the American Chemical Society 142(48) (2020) 20313-20317
Space group: P 61
Cell volume: 6722.1
Cell parameters: 19.3198; 19.3198; 20.7955; 90; 90; 120;

COD ID: 4308780
CIF file	Formula: - C28 H29 Fe2 N6 O13 - Comments: Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels Inorganic Chemistry 44 (2005) 1302-1308 Space group: P 61 Cell volume: 5448 Cell parameters: 13.164; 13.164; 36.305; 90; 90; 120;

COD ID: 4308782
CIF file	Formula: - C28 H32 Fe2 N6 O10 - Comments: Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels Inorganic Chemistry 44 (2005) 1302-1308 Space group: P 61 Cell volume: 5483 Cell parameters: 13.16; 13.16; 36.56; 90; 90; 120;

COD ID: 4308783
CIF file	Formula: - C28 H32 Fe2 I2 N6 O10 - Comments: Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels Inorganic Chemistry 44 (2005) 1302-1308 Space group: P 61 Cell volume: 5497 Cell parameters: 13.2725; 13.2725; 36.032; 90; 90; 120;

COD ID: 4309506
CIF file	Formula: - C31 H17 F12 Hg3 N2 O2 - Comments: Mason R. Haneline; François P. Gabbaï Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury Inorganic Chemistry 44 (2005) 6248-6255 Space group: P 61 Cell volume: 5164 Cell parameters: 11.559; 11.559; 44.627; 90; 90; 120;

COD ID: 4311309
CIF file	Formula: - C19.33 H17.67 Cl1.67 Cu N3 - Comments: A. N. Vedernikov; M. Pink; K. G. Caulton Influence of the [2.1.1]-(2,6)-Pyridinophane Macrocycle Ring Size Constraint on the Structure and Reactivity of Copper Complexes Inorganic Chemistry 43 (2004) 4300-4305 Space group: P 61 Cell volume: 2905.2 Cell parameters: 21.0593; 21.0593; 7.5642; 90; 90; 120;

COD ID: 4311521
CIF file	Formula: - C30 H23 Ag Au B2 F8 N10 - Comments: Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer Inorganic Chemistry 43 (2004) 5714-5724 Space group: P 61 Cell volume: 4907 Cell parameters: 13.1912; 13.1912; 32.5625; 90; 90; 120;

COD ID: 4313418
CIF file	Formula: - H26 Mo7 N4 O43 U5 - Comments: Sergey V. Krivovichev; Christopher L. Cahill; Peter C. Burns A Novel Open Framework Uranyl Molybdate: Synthesis and Structure of (NH4)4[(UO2)5(MoO4)7](H2O)5 Inorganic Chemistry 42 (2003) 2459-2464 Space group: P 61 Cell volume: 7961.9 Cell parameters: 11.4067; 11.4067; 70.659; 90; 90; 120;

COD ID: 4313557

Formula: - C4 H2 Cs2 N4 Ni O -
Comments: Jeffrey B. Cornelius; Robert M. Trapp; Terry J. Delord; Frank R. Fronczek; Steven F. Watkins; Jill Jasin Orosz; Ronald L. Musselman One-Dimensional Collective Electronic Effects in the Helically Stacked Cs2[Ni(CN)4].H2O and Cs2[Pt(CN)4].H2O: X-ray Structure, Polarized Specular Reflectance, and ZINDO Calculations Inorganic Chemistry 42 (2003) 3026-3035
Space group: P 61
Cell volume: 1496.5
Cell parameters: 9.526; 9.526; 19.043; 90; 90; 120;

COD ID: 4313839
CIF file	Formula: - C12 H30 N3 O P - Comments: Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage Inorganic Chemistry 42 (2003) 3994-4005 Space group: P 61 Cell volume: 2348.54 Cell parameters: 9.557; 9.557; 29.691; 90; 90; 120;

COD ID: 4315270

Formula: - C21 H40 N10 Ni2 O16 -
Comments: Tanmay Chattopadhyay; Madhuparna Mukherjee; Arindam Mondal; Pali Maiti; Arpita Banerjee; Kazi Sabnam Banu; Santanu Bhattacharya; Bappaditya Roy; D. J. Chattopadhyay; Tapan Kumar Mondal; Munirathinam Nethaji; Ennio Zangrando; Debasis Das A Unique Nickel System having Versatile Catalytic Activity of Biological Significance Inorganic Chemistry 49 (2010) 3121-3129
Space group: P 61
Cell volume: 4897.1
Cell parameters: 9.9402; 9.9402; 57.229; 90; 90; 120;

COD ID: 4319189
CIF file	Formula: - C17 H33 N5 O8 Zn2 - Comments: Andrea Erxleben Synthesis and Structure of a Helical Coordination Polymer: {[Zn2(bdaip)(μ-OH)(OH)]NO3.2H2O}∞(Hbdaip = 2,6-Bis{N-[2-(dimethylamino)ethyl]- iminomethyl}-4-methylphenol) Inorganic Chemistry 40 (2001) 412-414 Space group: P 61 Cell volume: 3673.3 Cell parameters: 11.34; 11.34; 32.984; 90; 90; 120;

COD ID: 4320038
CIF file	Formula: - C19 H26 Cu N4 S2 - Comments: Young-Jin Kim; Su-Oak Kim; Young-Inn Kim; Sung-Nak Choi A Mimic Molecule of Blue Copper Protein Active Site [(-)-Sparteine-N,N'](maleonitriledithiolato-S,S')copper(II) Inorganic Chemistry 40 (2001) 4481-4484 Space group: P 61 Cell volume: 2911.2 Cell parameters: 8.569; 8.569; 45.78; 90; 90; 120;

COD ID: 4322110
CIF file	Formula: - C74 H66 F12 Fe2 N4 P4 Pt Sb2 - Comments: Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions Inorganic Chemistry 38 (1999) 3070-3079 Space group: P 61 Cell volume: 12920 Cell parameters: 32.12; 32.12; 14.46; 90; 90; 120;

COD ID: 4322983
CIF file	Formula: - C35 H45 O2 P Ti - Comments: Andrea V. Firth; Douglas W. Stephan Cyclopentadienyl-Bis-Aryloxide Titanium Complexes Inorganic Chemistry 37 (1998) 4732-4734 Space group: P 61 Cell volume: 5101.76 Cell parameters: 10.8826; 10.8826; 49.7421; 90; 90; 120;

COD ID: 4323679

Formula: - C41.8 H39 Cl2 Co O0.2 P3 -
Comments: Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity Inorganic Chemistry 36 (1997) 5457-5469
Space group: P 61
Cell volume: 5730
Cell parameters: 20.015; 20.015; 16.516; 90; 90; 120;

COD ID: 4325452

Formula: - C24 H32 Cl O4 Tc n4 -
Comments: Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State Inorganic Chemistry 50 (2011) 5815-5823
Space group: P 61
Cell volume: 3871.61
Cell parameters: 10.2396; 10.2396; 42.6378; 90; 90; 120;

COD ID: 4327210
CIF file	Formula: - C17.67 H44 Cl2 Fe2 N4 - Comments: Jeremiah S. Duncan; Michael J. Zdilla; Sonny C. Lee Synthesis and Elaboration of the Dinuclear Iron-Imide Cluster Core [Fe2(μ-NR)2]2+ Inorganic Chemistry 46 (2007) 1071-1080 Space group: P 61 Cell volume: 4013.93 Cell parameters: 19.0192; 19.0192; 12.8131; 90; 90; 120;

COD ID: 4332282
CIF file	Formula: - C25 H20 F3 N2 O4 P S - Comments: Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group Inorganic Chemistry 45(16) (2006) 6497-6507 Space group: P 61 Cell volume: 3741.2 Cell parameters: 10.1017; 10.1017; 42.334; 90; 90; 120;

COD ID: 4345027
CIF file	Formula: - C20 H20 Cl N2 O5 Re - Comments: Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J. Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis. Inorganic chemistry 56(3) (2017) 1757-1769 Space group: P 61 Cell volume: 3000 Cell parameters: 11.2324; 11.2324; 27.4564; 90; 90; 120;

COD ID: 4346694

Formula: - C21 H24 Co Cu N7 -
Comments: Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes. Inorganic chemistry 54(23) (2015) 11330-11338
Space group: P 61
Cell volume: 3460.2
Cell parameters: 18.8953; 18.8953; 11.191; 90; 90; 120;

COD ID: 4348366

Formula: - C4 H12 I3 N Pb -
Comments: Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking. Inorganic chemistry 55(16) (2016) 8025-8030
Space group: P 61
Cell volume: 1900.6
Cell parameters: 9.616; 9.616; 23.734; 90; 90; 120;

COD ID: 4500243
CIF file	Formula: - C21 H40 Fe N10 Ni O3 - Comments: Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties Crystal Growth & Design 11(1) (2011) 302 Space group: P 61 Cell volume: 5069.4 Cell parameters: 19.2199; 19.2199; 15.8463; 90; 90; 120;

COD ID: 4505782

Formula: - C8 H22 Co F6 N10 P -
Comments: Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R. The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V)) Crystal Growth & Design 2(3) (2002) 205
Space group: P 61
Cell volume: 2572.37
Cell parameters: 9.3817; 9.3817; 33.7473; 90; 90; 120;

COD ID: 4508194

Formula: - C74 H106 F3 N12 O32 -
Comments: Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies Crystal Growth & Design 13(10) (2013) 4355
Space group: P 61
Cell volume: 15217
Cell parameters: 27.931; 27.931; 22.523; 90; 90; 120;

COD ID: 4508196

Formula: - C72 H101 F5 N12 O17 -
Comments: Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies Crystal Growth & Design 13(10) (2013) 4355
Space group: P 61
Cell volume: 20962
Cell parameters: 48.481; 48.481; 10.298; 90; 90; 120;

COD ID: 4509734

Formula: - C10 H18 Cd N2 O9 S -
Comments: Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S. Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands Crystal Growth & Design 9(12) (2009) 5233
Space group: P 61
Cell volume: 2450.4
Cell parameters: 11.6597; 11.6597; 20.813; 90; 90; 120;

COD ID: 4511749

Formula: - C18 H13 Gd N4 O9 -
Comments: Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand Crystal Growth & Design 14(9) (2014) 4729
Space group: P 61
Cell volume: 2894.9
Cell parameters: 11.1905; 11.1905; 26.6938; 90; 90; 120;

COD ID: 4511751

Formula: - C18 H13 N4 O9 Tb -
Comments: Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand Crystal Growth & Design 14(9) (2014) 4729
Space group: P 61
Cell volume: 2881.6
Cell parameters: 11.1793; 11.1793; 26.6236; 90; 90; 120;

COD ID: 4512582

Formula: - C98.91 H133.82 O24.1 -
Comments: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. ACS chemical biology 10(4) (2015) 1099-1109
Space group: P 61
Cell volume: 14488.4
Cell parameters: 49.7851; 49.7851; 6.7498; 90; 90; 120;

COD ID: 4513430
CIF file	Formula: - C7 H3 N O8 U - Comments: Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z. Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake Crystal Growth & Design 15(8) (2015) 4062 Space group: P 61 Cell volume: 1718.4 Cell parameters: 14.714; 14.714; 9.165; 90; 90; 120;

COD ID: 4515742

Formula: - C21 H25 Cl Ir N O3 -
Comments: Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones ACS Catalysis 8(9) (2018) 8020
Space group: P 61
Cell volume: 3321.5
Cell parameters: 18.4094; 18.4094; 11.3169; 90; 90; 120;

COD ID: 4516170
CIF file	Formula: - C48 H38 N2 O6 S2 - Comments: Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega 3(12) (2018) 16615-16625 Space group: P 61 Cell volume: 5854.6 Cell parameters: 11.977; 11.977; 47.127; 90; 90; 120;

COD ID: 4516767
CIF file	Formula: - C16 H16 F3 N3 O6 - Comments: Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. Late Stage Azidation of Complex Molecules. ACS central science 2(10) (2016) 715-724 Space group: P 61 Cell volume: 2718.48 Cell parameters: 17.5978; 17.5978; 10.1363; 90; 90; 120;

COD ID: 4518104

Formula: - C25 H33 N3 O5 -
Comments: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega 5(40) (2020) 26141-26152
Space group: P 61
Cell volume: 3816.4
Cell parameters: 13.8479; 13.8479; 22.9802; 90; 90; 120;

COD ID: 4518278
CIF file	Formula: - C13 H19 N O - Comments: Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide ACS Catalysis (2020) 14824-14833 Space group: P 61 Cell volume: 2065.2 Cell parameters: 16.8594; 16.8594; 8.3896; 90; 90; 120;

COD ID: 4518618

Formula: - C40 H58 Cl2 Fe N4 O -
Comments: Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes ACS Catalysis (2021) 5593-5600
Space group: P 61
Cell volume: 6414.2
Cell parameters: 26.4101; 26.4101; 10.6187; 90; 90; 120;

COD ID: 4519231
CIF file	Formula: - C35 H28 O - Comments: Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions ACS Catalysis (2021) 536-543 Space group: P 61 Cell volume: 4221.34 Cell parameters: 21.1226; 21.1226; 10.9251; 90; 90; 120;

COD ID: 7003479

Formula: - C18 H14 N2 Ni O6 -
Comments: Feller, Russell K.; Cheetham, Anthony K. Polytypism, homochirality, interpenetration, and hydrogen-bonding in transition metal (Mn(ii), Ni(ii), Cu(ii), Zn(ii)) 5-hydroxyisophthalate coordination polymers containing 4,4′-bipyridyl Dalton Transactions (issue 15) (2008) 2034-2042
Space group: P 61
Cell volume: 2729.6
Cell parameters: 11.2217; 11.2217; 25.029; 90; 90; 120;

COD ID: 7004149

Formula: - C36 H94 N12 Ni3 O23 P6 -
Comments: Havlíčková, Jana; Medová, Hana; Vitha, Tomáš; Kotek, Jan; Císařová, Ivana; Hermann, Petr Coordination properties of cyclam (1,4,8,11-tetraazacyclotetradecane) endowed with two methylphosphonic acid pendant arms in the 1,4-positions Dalton Transactions (issue 39) (2008) 5378-5386
Space group: P 61
Cell volume: 8724.84
Cell parameters: 15.2662; 15.2662; 43.228; 90; 90; 120;

COD ID: 7004818
CIF file	Formula: - C60 H78 Ag4 N28 O24 - Comments: Iremonger, Simon S.; Southon, Peter D.; Kepert, Cameron J. A nanoporous chiral metal‒organic framework material that exhibits reversible guest adsorption Dalton Transactions (issue 44) (2008) 6103-6105 Space group: P 61 Cell volume: 15314 Cell parameters: 22.6827; 22.6827; 34.369; 90; 90; 120;

COD ID: 7006509

Formula: - C47.5 H70.5 Er O6 -
Comments: Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H. Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes. Dalton transactions (Cambridge, England : 2003) (issue 6) (2006) 802-812
Space group: P 61
Cell volume: 7177
Cell parameters: 28.49; 28.49; 10.21; 90; 90; 120;

COD ID: 7007222
CIF file	Formula: - C54 H88 La N3 P2 Si2 - Comments: Izod, Keith; Liddle, Stephen T.; Clegg, William; Harrington, Ross W. Amino-functionalised diarylphosphide complexes of the alkali metals and lanthanum. Dalton transactions (Cambridge, England : 2003) (issue 28) (2006) 3431-3437 Space group: P 61 Cell volume: 8481.5 Cell parameters: 13.5252; 13.5252; 53.537; 90; 90; 120;

COD ID: 7009048

Formula: - C12 H19 N5 Sn -
Comments: Bhandari, Sonali; Frost, Christopher G.; Hague, Catherine E.; Mahon, Mary F.; Molloy, Kieran C. Synthesis of functionalised (triorganostannyl)tetrazoles: supramolecular structures of n-[2-(triorganostannyl)tetrazol-5-yl]pyridine (n = 2, 3 or 4)† Journal of the Chemical Society, Dalton Transactions (issue 5) (2000) 663
Space group: P 61
Cell volume: 2305.5
Cell parameters: 8.263; 8.263; 38.991; 90; 90; 120;

COD ID: 7021162

Formula: - C45 H51 Cl N2 O2 P Rh -
Comments: Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M. Dioxygen adducts of rhodium N-heterocyclic carbene complexes. Dalton transactions (Cambridge, England : 2003) 42(20) (2013) 7414-7423
Space group: P 61
Cell volume: 7005.3
Cell parameters: 25.697; 25.697; 12.2498; 90; 90; 120;

COD ID: 7031851

Formula: - C58 H111 Co3 Dy3 N7 O31 -
Comments: Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates. Dalton transactions (Cambridge, England : 2003) 43(39) (2014) 14577-14585
Space group: P 61
Cell volume: 12301
Cell parameters: 16.173; 16.173; 54.305; 90; 90; 120;

COD ID: 7034088

Formula: - C18 H13 Dy N4 O9 -
Comments: Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid). Dalton transactions (Cambridge, England : 2003) 44(13) (2015) 6169-6174
Space group: P 61
Cell volume: 2897.6
Cell parameters: 11.2159; 11.2159; 26.5973; 90; 90; 120;

COD ID: 7034282
CIF file	Formula: - C46 H38 N6 Ni S2 - Comments: Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R. Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility. Dalton transactions (Cambridge, England : 2003) 44(15) (2015) 6863-6870 Space group: P 61 Cell volume: 6017.3 Cell parameters: 10.781; 10.781; 59.78; 90; 90; 120;

COD ID: 7038728

Formula: - C36 H28 Cd2 N6 O8 -
Comments: Qu, Xiang-Long; Gui, Di; Zheng, Xiao-Li; Li, Rui; Han, Hong-Liang; Li, Xia; Li, Pei-Zhou A Cd(ii)-based metal-organic framework as a luminance sensor to nitrobenzene and Tb(iii) ion. Dalton transactions (Cambridge, England : 2003) 45(16) (2016) 6983-6989
Space group: P 61
Cell volume: 5009.8
Cell parameters: 11.823; 11.823; 41.384; 90; 90; 120;

COD ID: 7039999

Formula: - C21 H42 B10 Cl2 Ir N2 -
Comments: Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E. Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation. Dalton transactions (Cambridge, England : 2003) 45(40) (2016) 15818-15827
Space group: P 61
Cell volume: 13886.4
Cell parameters: 35.0294; 35.0294; 13.0675; 90; 90; 120;

COD ID: 7040559

Formula: - C37 H43 Cl Mn3 N9 O17 -
Comments: Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties. Dalton transactions (Cambridge, England : 2003) 45(39) (2016) 15634-15643
Space group: P 61
Cell volume: 7123.5
Cell parameters: 20.1846; 20.1846; 20.1893; 90; 90; 120;

COD ID: 7040575

Formula: - C63 H52 Cu F6 N2 O P3 -
Comments: Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E. Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15180-15192
Space group: P 61
Cell volume: 7902.6
Cell parameters: 10.9508; 10.9508; 76.094; 90; 90; 120;

COD ID: 7042274

Formula: - C18 H13 N4 O9 Sm -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 61
Cell volume: 2949.6
Cell parameters: 11.3026; 11.3026; 26.661; 90; 90; 120;

COD ID: 7042276

Formula: - C18 H13 Er N4 O9 -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 61
Cell volume: 2893.91
Cell parameters: 11.2299; 11.2299; 26.4974; 90; 90; 120;

COD ID: 7042279

Formula: - C18 H13 Gd N4 O9 -
Comments: Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4265-4277
Space group: P 61
Cell volume: 2940.17
Cell parameters: 11.2815; 11.2815; 26.6752; 90; 90; 120;

COD ID: 7042704

Formula: - C26 H24 N2 O4 -
Comments: Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes Dalton Trans. (2017)
Space group: P 61
Cell volume: 3271.3
Cell parameters: 17.6523; 17.6523; 12.1223; 90; 90; 120;

COD ID: 7050863
CIF file	Formula: - C3 H8 N O9 P3 Zn2 - Comments: Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham Hydrothermal synthesis, characterization and crystal structures of two new zinc(ii) phosphonates: Zn2[(O3PCH2)2NHCH2CO2] and Zn2[HO3PCH2NH(CH2PO3)2] New Journal of Chemistry 26(8) (2002) 1010 Space group: P 61 Cell volume: 1611.6 Cell parameters: 8.3553; 8.3553; 26.657; 90; 90; 120;

COD ID: 7050864
CIF file	Formula: - C4 H7 N O8 P2 Zn2 - Comments: Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham Hydrothermal synthesis, characterization and crystal structures of two new zinc(ii) phosphonates: Zn2[(O3PCH2)2NHCH2CO2] and Zn2[HO3PCH2NH(CH2PO3)2] New Journal of Chemistry 26(8) (2002) 1010 Space group: P 61 Cell volume: 1537.9 Cell parameters: 8.0677; 8.0677; 27.283; 90; 90; 120;

COD ID: 7060153

Formula: - C18 H18 F6 N O P -
Comments: Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A. Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction New Journal of Chemistry 45(3) (2021) 1565-1572
Space group: P 61
Cell volume: 2723.5
Cell parameters: 9.8217; 9.8217; 32.6; 90; 90; 120;

COD ID: 7062948

Formula: - C23 H29 N3 O4 -
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: P 61
Cell volume: 7858.7
Cell parameters: 25.6308; 25.6308; 13.8132; 90; 90; 120;

COD ID: 7101451

Formula: - C12 H15 N3 O2 -
Comments: Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes Chemical Communications (Cambridge, United Kingdom) (issue 39) (2006) 4069-4071
Space group: P 61
Cell volume: 2095.4
Cell parameters: 15.583; 15.583; 9.964; 90; 90; 120;

COD ID: 7101453

Formula: - C12 H15 N3 O2 -
Comments: Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes Chemical Communications (Cambridge, United Kingdom) (issue 39) (2006) 4069-4071
Space group: P 61
Cell volume: 1992.1
Cell parameters: 15.3543; 15.3543; 9.7571; 90; 90; 120;

COD ID: 7102501
CIF file	Formula: - C29 H27 O2 P S - Comments: Korff, Christian; Helmchen, Gunter Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling. Chemical communications (Cambridge, England) (issue 5) (2004) 530-531 Space group: P 61 Cell volume: 3662.8 Cell parameters: 10.9341; 10.9341; 35.377; 90; 90; 120;

COD ID: 7107200
CIF file	Formula: - C30 H26 Co3 N2 O12 - Comments: Jinhee Park; Jian-Rong Li; E. Carolina Sanudo; Daqiang Yuan; Hong-Cai Zhou A porous metal-organic framework with helical chain building units exhibiting facile transition from micro- to meso-porosity Chem.Commun. 48 (2012) 883 Space group: P 61 Cell volume: 10382 Cell parameters: 24.65; 24.65; 19.73; 90; 90; 120;

COD ID: 7107356

Formula: - C54 H49 Cd2 N10 O13.5 -
Comments: Xiao-Li Sun; Wen-Chao Song; Shuang-Quan Zang; Chen-Xia Du; Hong-Wei Hou; Thomas C. W. Mak Hierarchical assembly of a homochiral triple concentric helical system in a novel 3D supramolecular metal-organic framework: synthesis, crystal structure, and SHG properties Chem.Commun. 48 (2012) 2113
Space group: P 61
Cell volume: 4309.1
Cell parameters: 21.0747; 21.0747; 11.2029; 90; 90; 120;

COD ID: 7109353
CIF file	Formula: - C12 H19 N2 O6 Zn - Comments: Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability Chem.Commun. 49 (2013) 5262 Space group: P 61 Cell volume: 2817 Cell parameters: 17.7336; 17.7336; 10.3433; 90; 90; 120;

COD ID: 7109354
CIF file	Formula: - C13 H22 N2 O6 Zn - Comments: Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability Chem.Commun. 49 (2013) 5262 Space group: P 61 Cell volume: 2742.63 Cell parameters: 17.4542; 17.4542; 10.3953; 90; 90; 120;

COD ID: 7109355
CIF file	Formula: - C9 H15 Cl N2 O4 Zn - Comments: Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability Chem.Commun. 49 (2013) 5262 Space group: P 61 Cell volume: 2704.31 Cell parameters: 17.4587; 17.4587; 10.24475; 90; 90; 120;

COD ID: 7109356
CIF file	Formula: - C10 H12 N2 O4 Zn - Comments: Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability Chem.Commun. 49 (2013) 5262 Space group: P 61 Cell volume: 2762.1 Cell parameters: 17.686; 17.686; 10.1964; 90; 90; 120;

COD ID: 7111076
CIF file	Formula: - C29 H37 B N3 O3 P - Comments: Marchi, Caroline; Delapierre, Guillaume; Fotiadu, Frédéric; Buono, Gérard First totally diastereoselective opening of chiral triquinphosphoranes. A new access to enantiopure oxazaphospholidines Chemical Communications (issue 22) (2000) 2227 Space group: P 61 Cell volume: 4420.6 Cell parameters: 13.0505; 13.0505; 29.9705; 90; 90; 120;

COD ID: 7111296
CIF file	Formula: - C24 H32 Cr O5 Si - Comments: Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes Chemical Communications (issue 23) (2003) 2866-2867 Space group: P 61 Cell volume: 3725.51 Cell parameters: 10.4461; 10.4461; 39.4227; 90; 90; 120;

COD ID: 7111456
CIF file	Formula: - C48 H36 O12 - Comments: Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S. Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol Chemical Communications (issue 22) (2004) 2530-2531 Space group: P 61 Cell volume: 6182.1 Cell parameters: 13.984; 13.984; 36.504; 90; 90; 120;

COD ID: 7111952
CIF file	Formula: - C24 H27 O8 P - Comments: Fuyi Zhang; Liming Wang; Cui Zhang; Yufen Zhao Novel regio- and stereoselective phosphonyl radical addition to glycals promoted by Mn(II)-air: syntheses of 1,2-dideoxy 2-C-diphenylphosphinylglycopyranosides Chem.Commun. 50 (2014) 2046 Space group: P 61 Cell volume: 3684.96 Cell parameters: 11.64595; 11.64595; 31.3727; 90; 90; 120;

COD ID: 7119896

Formula: - C12 H17 N5 O2 Zn -
Comments: Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks. Chemical communications (Cambridge, England) 53(26) (2017) 3705-3708
Space group: P 61
Cell volume: 2844.8
Cell parameters: 17.764; 17.764; 10.4098; 90; 90; 120;

COD ID: 7122129

Formula: - C56 H128 O20 Si4 Sm2 -
Comments: Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide. Chemical communications (Cambridge, England) 54(73) (2018) 10268-10271
Space group: P 61
Cell volume: 11617.6
Cell parameters: 13.49276; 13.49276; 73.6861; 90; 90; 120;

COD ID: 7126980

Formula: - C8 H10 Cl N O4 Pb S -
Comments: Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks. Chemical communications (Cambridge, England) 56(69) (2020) 10078-10081
Space group: P 61
Cell volume: 1889.6
Cell parameters: 10.0345; 10.0345; 21.669; 90; 90; 120;

COD ID: 7128571

Formula: - C23 H33 N O2 Si -
Comments: Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S. Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation. Chemical communications (Cambridge, England) 57(59) (2021) 7252-7255
Space group: P 61
Cell volume: 3209.4
Cell parameters: 19.2612; 19.2612; 9.9892; 90; 90; 120;

COD ID: 7128809

Formula: - C31 H29 Br2 N3 P2 Zn -
Comments: Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin Electrocatalytic reduction of CO2 to CO and HCO2- with Zn(II) complexes displaying cooperative ligand reduction. Chemical communications (Cambridge, England) 57(73) (2021) 9292-9295
Space group: P 61
Cell volume: 4596.84
Cell parameters: 10.6902; 10.6902; 46.4469; 90; 90; 120;

COD ID: 7129708
CIF file	Formula: - C22 H24 Br N O - Comments: Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers Chemical Communications (2022) Space group: P 61 Cell volume: 3218.6 Cell parameters: 12.7423; 12.7423; 22.89; 90; 90; 120;

COD ID: 7130076
CIF file	Formula: - C60 H66 N8 O8 - Comments: Misra, Rajkumar; Vijayakanth, Thangavel; Shimon, Linda J. W.; Adler-Abramovich, Lihi Atomic insight into short helical peptide comprised of consecutive multiple aromatic residues Chemical Communications (2022) Space group: P 61 Cell volume: 8471.7 Cell parameters: 11.9093; 11.9093; 68.9715; 90; 90; 120;

COD ID: 7131251

Formula: - C14 H24 Cd N2 O6 -
Comments: Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks Chemical Communications 59(18) (2023) 2608-2611
Space group: P 61
Cell volume: 3356.8
Cell parameters: 16.3968; 16.3968; 14.4171; 90; 90; 120;

COD ID: 7131252

Formula: - C12 H16 Br Cd N2 O2 -
Comments: Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks Chemical Communications 59(18) (2023) 2608-2611
Space group: P 61
Cell volume: 3427
Cell parameters: 16.3028; 16.3028; 14.8888; 90; 90; 120;

COD ID: 7131253

Formula: - C12 H17 Cd Cl N2 O2 -
Comments: Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks Chemical Communications 59(18) (2023) 2608-2611
Space group: P 61
Cell volume: 3432.3
Cell parameters: 16.4524; 16.4524; 14.6419; 90; 90; 120;

COD ID: 7150262
CIF file	Formula: - C27 H33 Cl O9 Si - Comments: Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J. A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis. Organic & biomolecular chemistry 3(20) (2005) 3654-3677 Space group: P 61 Cell volume: 4489.6 Cell parameters: 14.153; 14.153; 25.881; 90; 90; 120;

COD ID: 7151117
CIF file	Formula: - C23 H16 - Comments: Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J. Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes. Organic & biomolecular chemistry 5(12) (2007) 1952-1960 Space group: P 61 Cell volume: 2295 Cell parameters: 23.6218; 23.6218; 4.7492; 90; 90; 120;

COD ID: 7151263
CIF file	Formula: - C29 H25 O3 P - Comments: Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry. Organic & biomolecular chemistry 4(16) (2006) 3108-3112 Space group: P 61 Cell volume: 3651.68 Cell parameters: 11.1634; 11.1634; 33.8352; 90; 90; 120;

COD ID: 7151308
CIF file	Formula: - C14 H24 N2 O5 - Comments: Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan Structural studies of model peptides containing ?-, ?- and ?-amino acids Organic & Biomolecular Chemistry 4(22) (2006) 4214 Space group: P 61 Cell volume: 2405 Cell parameters: 9.7591; 9.7591; 29.158; 90; 90; 120;

COD ID: 7151475
CIF file	Formula: - C18 H25 N O7 - Comments: Peter B. Hitchcock; Shazia Rahman (née Masood); Douglas W. Young An alternative to the use of δ-lactam urethanes in the “ring switch” approach to higher homologues of AMPA-type glutamate antagonists Org. Biomol. Chem. 1(15) (2003) 2682-2688 Space group: P 61 Cell volume: 3021.7 Cell parameters: 8.994; 8.994; 43.134; 90; 90; 120;

COD ID: 7151635

Formula: - C20 H20 Cl2 N2 Pd -
Comments: Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids. Organic & biomolecular chemistry 9(2) (2011) 497-503
Space group: P 61
Cell volume: 4075.5
Cell parameters: 18.7436; 18.7436; 13.3951; 90; 90; 120;

COD ID: 7151764

Formula: - C19 H23 N O4 -
Comments: Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C. Total synthesis of the Amaryllidaceae alkaloid clivonine. Organic & biomolecular chemistry 9(8) (2011) 2809-2820
Space group: P 61
Cell volume: 2489.7
Cell parameters: 10.695; 10.695; 25.134; 90; 90; 120;

COD ID: 7152202

Formula: - C32.33 H42.33 I N2 O2 -
Comments: Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J. The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols. Organic & biomolecular chemistry 10(3) (2012) 512-515
Space group: P 61
Cell volume: 4257.8
Cell parameters: 21.382; 21.382; 10.7536; 90; 90; 120;

COD ID: 7152825

Formula: - C21 H17 Br O4 -
Comments: Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones. Organic & biomolecular chemistry 11(9) (2013) 1451-1455
Space group: P 61
Cell volume: 2717
Cell parameters: 14.959; 14.959; 14.02; 90; 90; 120;

COD ID: 7153793

Formula: - C22 H16 Cl N5 O2 -
Comments: Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes. Organic & biomolecular chemistry 12(25) (2014) 4372-4385
Space group: P 61
Cell volume: 3992.9
Cell parameters: 21.6553; 21.6553; 9.8316; 90; 90; 120;

COD ID: 7154979

Formula: - C18 H13 F3 O4 -
Comments: Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J. Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres. Organic & biomolecular chemistry 14(11) (2016) 3040-3046
Space group: P 61
Cell volume: 2406.87
Cell parameters: 9.0807; 9.0807; 33.7042; 90; 90; 120;

COD ID: 7155635

Formula: - C24 H16 O2 -
Comments: Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides Org. Biomol. Chem. (2017)
Space group: P 61
Cell volume: 7683.35
Cell parameters: 13.54378; 13.54378; 48.366; 90; 90; 120;

COD ID: 7156511
CIF file	Formula: - C19 H17 N O6 - Comments: Claveau, Romain; Twamley, Brendan; Connon, Stephen J. Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst. Organic & biomolecular chemistry 16(41) (2018) 7574-7578 Space group: P 61 Cell volume: 2544.33 Cell parameters: 9.3038; 9.3038; 33.9408; 90; 90; 120;

COD ID: 7157294

Formula: - C20 H26 O3 S -
Comments: Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products. Organic & biomolecular chemistry 18(4) (2020) 687-693
Space group: P 61
Cell volume: 2724.2
Cell parameters: 8.009; 8.009; 49.0398; 90; 90; 120;

COD ID: 7159434

Formula: - C18 H25 N O3 S2 -
Comments: Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes. Organic & biomolecular chemistry 21(28) (2023) 5827-5839
Space group: P 61
Cell volume: 3353.6
Cell parameters: 14.1201; 14.1201; 19.4225; 90; 90; 120;

COD ID: 7201479

Formula: - C42 H30 Cd2 N4 O8 -
Comments: Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties CrystEngComm 11(12) (2009) 2784
Space group: P 61
Cell volume: 5603.5
Cell parameters: 12.2627; 12.2627; 43.0285; 90; 90; 120;

COD ID: 7202302
CIF file	Formula: - C4 H9.2 Mn N4 O6.6 - Comments: Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming 3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes CrystEngComm 10(12) (2008) 1770 Space group: P 61 Cell volume: 1787.55 Cell parameters: 14.3295; 14.3295; 10.0523; 90; 90; 120;

COD ID: 7203256
CIF file	Formula: - C9.17 H10.17 Cl0.5 N2 O2 - Comments: Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin The solvates of o-acetamidobenzamide CrystEngComm 8(4) (2006) 313 Space group: P 61 Cell volume: 8547.1 Cell parameters: 21.91; 21.91; 20.559; 90; 90; 120;

COD ID: 7206022
CIF file	Formula: - C56 H66 O9 - Comments: Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies CrystEngComm 13(12) (2011) 3979 Space group: P 61 Cell volume: 7384 Cell parameters: 17.4504; 17.4504; 27.9996; 90; 90; 120;

COD ID: 7207104
CIF file	Formula: - C13 H11 Cd N O6 - Comments: Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand CrystEngComm 14(1) (2012) 63 Space group: P 61 Cell volume: 1972.32 Cell parameters: 10.5544; 10.5544; 20.4446; 90; 90; 120;

COD ID: 7207106
CIF file	Formula: - C13 H11 N O6 Zn - Comments: Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand CrystEngComm 14(1) (2012) 63 Space group: P 61 Cell volume: 1870.54 Cell parameters: 10.2723; 10.2723; 20.4692; 90; 90; 120;

COD ID: 7209921
CIF file	Formula: - C63 H72 Cd3 K3 N3 O30 - Comments: Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains CrystEngComm 15(26) (2013) 5201 Space group: P 61 Cell volume: 10415 Cell parameters: 20.609; 20.609; 28.314; 90; 90; 120;

COD ID: 7212495
CIF file	Formula: - C8 H16 N2 O3 - Comments: Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E. The effect of pressure on the porous peptide l-alanyl-l-valine CrystEngComm 12(8) (2010) 2322 Space group: P 61 Cell volume: 1804.4 Cell parameters: 14.427; 14.427; 10.0102; 90; 90; 120;

COD ID: 7212496
CIF file	Formula: - C8 H16 N2 O3 - Comments: Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E. The effect of pressure on the porous peptide l-alanyl-l-valine CrystEngComm 12(8) (2010) 2322 Space group: P 61 Cell volume: 1680.4 Cell parameters: 13.9836; 13.9836; 9.9229; 90; 90; 120;

COD ID: 7212630
CIF file	Formula: - C25 H22 F6 P2 - Comments: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L. Hirshfeld surface analysis of phosphonium salts CrystEngComm 12(12) (2010) 4321 Space group: P 61 Cell volume: 3470.12 Cell parameters: 9.9669; 9.9669; 40.3361; 90; 90; 120;

COD ID: 7212772

Formula: - C48 H42 -
Comments: Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions CrystEngComm 12(11) (2010) 3493
Space group: P 61
Cell volume: 5695
Cell parameters: 15.071; 15.071; 28.95; 90; 90; 120;

COD ID: 7214550
CIF file	Formula: - C12 H26 N2 O10 Zn - Comments: Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks CrystEngComm 15(45) (2013) 9634 Space group: P 61 Cell volume: 2761.47 Cell parameters: 17.4807; 17.4807; 10.435; 90; 90; 120;

COD ID: 7214981

Formula: - C36 H64 Cl Er N22 O32 -
Comments: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril CrystEngComm 14(23) (2012) 7994
Space group: P 61
Cell volume: 8311
Cell parameters: 14.465; 14.465; 45.866; 90; 90; 120;

COD ID: 7214985

Formula: - C36 H62 Dy N23 O34 -
Comments: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril CrystEngComm 14(23) (2012) 7994
Space group: P 61
Cell volume: 8335
Cell parameters: 14.4478; 14.4478; 46.109; 90; 90; 120;

COD ID: 7214986

Formula: - C36 H68 Cl3 N20 O28 Yb -
Comments: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril CrystEngComm 14(23) (2012) 7994
Space group: P 61
Cell volume: 8341
Cell parameters: 14.499; 14.499; 45.818; 90; 90; 120;

COD ID: 7214987

Formula: - C36 H74 Cl3 Lu N20 O29 -
Comments: Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril CrystEngComm 14(23) (2012) 7994
Space group: P 61
Cell volume: 8361
Cell parameters: 14.515; 14.515; 45.826; 90; 90; 120;

COD ID: 7216416

Formula: - C74 H84 O18 -
Comments: Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice CrystEngComm 16(22) (2014) 4853
Space group: P 61
Cell volume: 10562
Cell parameters: 25.35; 25.35; 18.979; 90; 90; 120;

COD ID: 7217827
CIF file	Formula: - C25 H18 N2 - Comments: Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R. 2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters RSC Advances (2014) Space group: P 61 Cell volume: 2683.15 Cell parameters: 10.3041; 10.3041; 29.1806; 90; 90; 120;

COD ID: 7221168
CIF file	Formula: - C4 H2 Cs2 N4 O Pt - Comments: Otto, H.H.; Schulz, H.; Thiemann, K.H.; Yersin, H.; Gliemann, G. Crystal structure of Cs2 (Pt (C N)4) (H2 O) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 127-130 Space group: P 61 Cell volume: 1571.36 Cell parameters: 9.687; 9.687; 19.336; 90; 90; 120;

COD ID: 7230547

Formula: - C36 H48 Cl6 N12 O17 S4 -
Comments: da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon CrystEngComm 20(22) (2018) 3049
Space group: P 61
Cell volume: 8008.7
Cell parameters: 14.838; 14.838; 42.003; 90; 90; 120;

COD ID: 7233166
CIF file	Formula: - C54 H53.77 Cl0.24 N2 O4 - Comments: Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P. Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds RSC Advances 9(38) (2019) 22017 Space group: P 61 Cell volume: 6672.5 Cell parameters: 14.5403; 14.5403; 36.4429; 90; 90; 120;

COD ID: 7238132
CIF file	Formula: - C8.41 H16 N2 O3 - Comments: Görbitz, Carl Henrik Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate CrystEngComm 7(111) (2005) 670 Space group: P 61 Cell volume: 1808.5 Cell parameters: 14.4539; 14.4539; 9.996; 90; 90; 120;

COD ID: 7238487

Formula: - C85 H110 N12 O20 Zn2 -
Comments: Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network CrystEngComm 14(20) (2012) 6952
Space group: P 61
Cell volume: 13027
Cell parameters: 23.965; 23.965; 26.192; 90; 90; 120;

COD ID: 7238579

Formula: - C36 H58 Dy N23 O32 -
Comments: Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution RSC Advances 2(8) (2012) 3217
Space group: P 61
Cell volume: 8335
Cell parameters: 14.4478; 14.4478; 46.109; 90; 90; 120;

COD ID: 7240297

Formula: - C25 H35 Co3 N5 O15 -
Comments: Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties CrystEngComm (2020)
Space group: P 61
Cell volume: 5424.91
Cell parameters: 23.8554; 23.8554; 11.0075; 90; 90; 120;

COD ID: 7241128

Formula: - C63 H43 Cd4 Cl2 N13 O13 -
Comments: Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand CrystEngComm (2020)
Space group: P 61
Cell volume: 10410.7
Cell parameters: 16.2489; 16.2489; 45.5303; 90; 90; 120;

COD ID: 7242637

Formula: - C17 H13 Cl2 N O2 S -
Comments: Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A. The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study CrystEngComm 23(21) (2021) 3907-3918
Space group: P 61
Cell volume: 2537.1
Cell parameters: 9.6734; 9.6734; 31.308; 90; 90; 120;

COD ID: 7243906
CIF file	Formula: - C108 H84 N18 O36 Zn3 - Comments: Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm 23(48) (2021) 8546-8552 Space group: P 61 Cell volume: 18787 Cell parameters: 15.531; 15.531; 89.937; 90; 90; 120;

COD ID: 7243908
CIF file	Formula: - C108 H84 N18 O38 Zn3 - Comments: Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode CrystEngComm 23(48) (2021) 8546-8552 Space group: P 61 Cell volume: 16807.6 Cell parameters: 15.1763; 15.1763; 84.264; 90; 90; 120;

COD ID: 7246472

Formula: - C5 H7 I2 N3 -
Comments: Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP 25(15) (2023) 10599-10603
Space group: P 61
Cell volume: 1368.28
Cell parameters: 7.0916; 7.0916; 31.4164; 90; 90; 120;

COD ID: 7247360
CIF file	Formula: - C10 H13 Cd N O5 - Comments: Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K. Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects CrystEngComm 25(38) (2023) 5428-5435 Space group: P 61 Cell volume: 1713.21 Cell parameters: 9.3792; 9.3792; 22.4879; 90; 90; 120;

COD ID: 7704611

Formula: - C24 H170 Eu4 K14 O236 Te4 W42 -
Comments: Zhang, Yan; Wang, Dan; Zeng, Baoxing; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu An unprecedented polyhydroxycarboxylic acid ligand bridged multi-EuIII incorporated tellurotungstate and its luminescence properties. Dalton transactions (Cambridge, England : 2003) 49(26) (2020) 8933-8948
Space group: P 61
Cell volume: 44304
Cell parameters: 44.9573; 44.9573; 25.3111; 90; 90; 120;

COD ID: 7704746
CIF file	Formula: - C23 H19 Cl N O P - Comments: Gericke, Robert; Wagler, Jörg (2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction. Dalton transactions (Cambridge, England : 2003) 49(29) (2020) 10042-10051 Space group: P 61 Cell volume: 3068.46 Cell parameters: 9.3905; 9.3905; 40.1802; 90; 90; 120;

COD ID: 7706980

Formula: - C18 H52 Cl3 Cr N6 O5 -
Comments: Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M. Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes. Dalton transactions (Cambridge, England : 2003) 50(15) (2021) 5342-5350
Space group: P 61
Cell volume: 4365.9
Cell parameters: 12.2492; 12.2492; 33.5991; 90; 90; 120;

COD ID: 7707448