Crystallography Open Database
Search results
Result: there are 291 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P 61'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1100441 | CIF | C15.32 H28.3 N O3.33 | P 61 | 15.488; 15.488; 11.604 90; 90; 120 | 2410.62 | Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes Liebigs Annalen/Recueil, 1997, 1997, 423-434 |
1100460 | CIF | C7 H9 N O2 S | P 61 | 13.82; 13.82; 8.625 90; 90; 120 | 1426.61 | Bolm, Carsten; Müller, Peter; Harms, Klaus Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes Acta Chemica Scandinavica, 1996, 50, 305-315 |
1502209 | CIF | C43 H56 Cl4 N2 O4 Rh2 S2 | P 61 | 15.457; 15.457; 42.11 90; 90; 120 | 8713 | Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions. Organic letters, 2011, 13, 3300-3303 |
1502283 | CIF | C15 H19 N O2 S | P 61 | 10.645; 10.645; 22.016 90; 90; 120 | 2160.5 | Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes. Organic letters, 2011, 13, 3674-3677 |
1502374 | CIF | C18 H25 N O S | P 61 | 8.3672; 8.3672; 41.378 90; 90; 120 | 2508.8 | Collett, Nathan D.; Carter, Rich G. Stereoselective synthesis of the eastern quinolizidine portion of himeradine A. Organic letters, 2011, 13, 4144-4147 |
1503415 | CIF | C22 H20 Br N O4 | P 61 | 18.5358; 18.5358; 10.8967 90; 90; 120 | 3242.3 | Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis. Organic letters, 2010, 12, 776-779 |
1503484 | CIF | C21 H30 N2 O4 | P 61 | 12.57; 12.57; 23.061 90; 90; 120 | 3155.6 | Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton. Organic letters, 2012, 14, 58-61 |
1503592 | CIF | C23.5 H33 Cl I N O6 | P 61 | 10.9498; 10.9498; 77.5761 90; 90; 120 | 8055.1 | 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, 2012, 14, 756-759 |
1504885 | CIF | C25.5 H24 N2 O2.5 | P 61 | 19.314; 19.314; 10.066 90; 90; 120 | 3251.9 | 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, 2008, 10, 4275-4278 |
1507884 | CIF | C46 H71 N3 O7 | P 61 | 27.994; 27.994; 10.3401 90; 90; 120 | 7017.5 | 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, 2012, 14, 3498-3501 |
1513353 | CIF | C12 H19 Br N2 O3 Zn | P 61 | 15.9539; 15.9539; 14.7843 90; 90; 120 | 3258.9 | 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, 2014, 86, 1277-1281 |
1514182 | CIF | C8 H16 N2 O3 | P 61 | 14.4465; 14.4465; 10.0082 90; 90; 120 | 1808.89 | Altheimer, Benjamin D; Mehta, Manish A Effects of structural differences on the NMR chemical shifts in isostructural dipeptides. The journal of physical chemistry. A, 2014, 118, 2618-2628 |
1514222 | CIF | C29 H46 O3 | P 61 | 26.574; 26.574; 6.5612 90; 90; 120 | 4012.62 | 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, 2014, 16, 2224-2227 |
1516077 | CIF | C21 H26 N2 O5 | P 61 | 8.268; 8.268; 48.704 90; 90; 120 | 2883.3 | 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, 2012, 14, 6166-6169 |
1517832 | CIF | Al2 S3 | P 61 | 6.438; 6.438; 17.898 90; 90; 120 | 642.4 | 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, 1993, 619, 983-988 |
1517833 | CIF | Al2 S3 | P 61 | 6.491; 6.491; 17.169 90; 90; 120 | 626.5 | 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, 1993, 619, 983-988 |
1527023 | CIF | Ga1.2 In0.8 Se3 | P 61 | 6.843; 6.843; 19.35 90; 90; 120 | 784.702 | 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-), 2000, 62, 16549-16554 |
1527024 | CIF | Ga0.8 In1.2 Se3 | P 61 | 6.985; 6.985; 18.99 90; 90; 120 | 802.395 | 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-), 2000, 62, 16549-16554 |
1530689 | CIF | C29 H49 Cl N2 O3 S | P 61 | 21.0551; 21.0551; 13.925 90; 90; 120 | 5346.1 | 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, 2015, 19, 1693 |
1530882 | CIF | Ga2 S3 | P 61 | 6.385; 6.385; 18.04 90; 90; 120 | 636.926 | 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, 1987, 22, 1549-1554 |
1536075 | CIF | H3 I Li2 O6 | P 61 | 5.297; 5.297; 27.596 90; 90; 120 | 670.559 | Jansen, M.; Kraft, T. Li2H3IO6, eine neue Variante der Molybdaenitstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 53-57 |
1538362 | CIF | Ga1.85 Mn0.23 S3 | P 61 | 6.397; 6.397; 18.027 90; 90; 120 | 638.862 | 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, 1982, 17, 293-300 |
1544313 | CIF HKL Paper | C18 H30 N10 O3 Zn2 | P 61 | 9.2437; 9.2437; 47.683 90; 90; 120 | 3528.5 | Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)] IUCrData, 2016, 1, x161626 |
1544493 | CIF | C26 H40 O10 | P 61 | 22.8955; 22.8955; 9.7127 90; 90; 120 | 4409.31 | 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, 2016, 79, 2479-2486 |
1545971 | CIF | C33 H35 N O | P 61 | 21.1037; 21.1037; 10.4985 90; 90; 120 | 4049.3 | 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, 2017, 19, 1520-1523 |
1546695 | CIF HKL | C18 H27 Cl2 N O | P 61 | 10.5372; 10.5372; 29.971 90; 90; 120 | 2881.92 | Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha <i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide IUCrData, 2017, 2, x170492 |
1548954 | CIF | C31 H34 O4 S | P 61 | 21.247; 21.247; 11.2694 90; 90; 120 | 4405.8 | 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, 2018, 9, 3305-3312 |
1549376 | CIF | C19 H13 Br F3 N O3 S | P 61 | 16.963; 16.963; 11.4256 90; 90; 120 | 2847.2 | 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, 2018, 9, 4909-4918 |
1551076 | CIF | C35 H25 Br N2 O2 | P 61 | 15.0667; 15.0667; 22.0098 90; 90; 120 | 4327 | 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 |
1552572 | CIF | C32 H39 F3 N O9 | P 61 | 11.4676; 11.4676; 38.8463 90; 90; 120 | 4424.1 | 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, 2019, 82, 2790-2799 |
1552608 | CIF | C60 H90 N2 O16 | P 61 | 36.4492; 36.4492; 9.48811 90; 90; 120 | 10916.6 | 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, 2019, 82, 2229-2237 |
1553867 | CIF | C23 H20 N O2 | P 61 | 18.5578; 18.5578; 9.8682 90; 90; 120 | 2943.2 | 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, 2017, 4, 2465 |
1555280 | CIF | C44 H71 N7 O12 | P 61 | 27.637; 27.637; 11.845 90; 90; 120 | 7835 | Ganesh Kumar, Mothukuri; Gopi, Hosahudya N. γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization. Organic letters, 2015, 17, 4738-4741 |
1555742 | CIF | C15 H19 Cl2 N O2 | P 61 | 14.6129; 14.6129; 14.5834 90; 90; 120 | 2696.88 | Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong Asymmetric Total Synthesis of (-)-Lycospidine A. Organic letters, 2016, 18, 4682-4685 |
1556984 | CIF | C25 H25 N5 O5 | P 61 | 13.718; 13.718; 21.48 90; 90; 120 | 3500.6 | 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 <i>Neosartorya fischeri</i>. Journal of natural products, 2020, 83, 169-173 |
1559731 | CIF | C55.17 H44.33 N4 O P Zn | P 61 | 28.129; 28.129; 10.2773 90; 90; 120 | 7042.4 | Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers. Chemical science, 2020, 12, 1750-1755 |
1562339 | CIF | C40 H52 O11 | P 61 | 10.56998; 10.56998; 56.6723 90; 90; 120 | 5483.4 | 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 |
1563273 | CIF | C36 H38 Cl Ir N4 | P 61 | 26.9599; 26.9599; 11.349 90; 90; 120 | 7143.7 | 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 |
1564371 | CIF | C29 H65 N3 O13 P3 Tb | P 61 | 17.031; 17.031; 23.5742 90; 90; 120 | 5921.7 | 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 |
1564868 | CIF | C9 H21 Mo N3 O S4 | P 61 | 8.673; 8.673; 36.26 90; 90; 120 | 2362 | 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, 2020, 507, 119599 |
1564960 | CIF | C34 H40 B Cu S4 | P 61 | 10.7164; 10.7164; 47.139 90; 90; 120 | 4688.2 | Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions, 2022, 234, 70-85 |
1565106 | CIF | C28 H28 N2 O4 S | P 61 | 22.7073; 22.7073; 9.0908 90; 90; 120 | 4059.42 | 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 |
1565712 | CIF | C26 H26 N4 O4 Ru | P 61 | 10.6783; 10.6783; 37.8191 90; 90; 120 | 3734.62 | 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, 2020, 499, 119193 |
1565837 | CIF | C25 H20 O4 | P 61 | 17.6742; 17.6742; 11.6231 90; 90; 120 | 3144.36 | 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, 2022, 13, 1163-1168 |
1566353 | CIF | C20 H31 F N2 O4 | P 61 | 11.8419; 11.8419; 27.2204 90; 90; 120 | 3305.73 | 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 |
1566356 | CIF | C20 H32 N2 O4 | P 61 | 11.84105; 11.84105; 27.02804 90; 90; 120 | 3281.9 | 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 |
1567984 | CIF | C22 H24 | P 61 | 17.4778; 17.4778; 9.964 90; 90; 120 | 2635.95 | 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 |
2000520 | CIF Paper | C19 H26 Cl Cu N3 O7 | P 61 | 9.307; 9.307; 44.432 90; 90; 120 | 3333.1 | Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R. Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate Acta Crystallographica Section C, 1992, 48, 1785-1788 |
2004268 | CIF Paper | C24 H40 Co N5 O4 | P 61 | 12.017; 12.017; 32.942 90; 90; 120 | 4119.8 | 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, 1995, 51, 2522-2524 |
2004579 | CIF Paper | C30 H28 N4 Ni O5 | P 61 | 12.942; 12.942; 29.326 90; 90; 120 | 4253.9 | Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M. Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-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, 1996, 52, 561-566 |
2005170 | CIF Paper | C8 H16 N2 O3 | P 61 | 14.424; 14.424; 9.996 90; 90; 120 | 1801.1 | Görbitz, C. H.; Gundersen, E. <small>L</small>-Valyl-<small>L</small>-alanine Acta Crystallographica Section C, 1996, 52, 1764-1767 |
2005376 | CIF Paper | C26 H36 O9 | P 61 | 17.172; 17.172; 14.965 90; 90; 120 | 3822 | 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, 1996, 52, 2288-2290 |
2009721 | CIF Paper | C21 H30 O2 | P 61 | 21.938; 21.938; 6.87 90; 90; 120 | 2863.4 | Puliti, R.; De Rosa, S.; Mattia, C. A. Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i> Acta Crystallographica Section C, 1994, 50, 830-833 |
2013579 | CIF HKL Paper | C8 H16 N2 O3 S | P 61 | 37.6488; 37.6488; 9.6613 90; 90; 120 | 11859.6 | Görbitz, Carl Henrik <small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7 Acta Crystallographica Section C, 2003, 59, o589-o592 |
2015632 | CIF HKL Paper | C5 H8 Co N2 O8.72 | P 61 | 13.4646; 13.4646; 9.8777 90; 90; 120 | 1550.9 | Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali <i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate] Acta Crystallographica Section C, 2006, 62, m513-m515 |
2018557 | CIF HKL Paper | C22 H28 O8 | P 61 | 18.2223; 18.2223; 11.2387 90; 90; 120 | 3231.9 | Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae) Acta Crystallographica Section C, 2012, 68, o320-o322 |
2019777 | CIF HKL Paper | C11 H13 N3 O | P 61 | 7.4519; 7.4519; 31.8705 90; 90; 120 | 1532.69 | Mnguni, Malitsatsi J.; Lemmerer, Andreas A structural study of 4-aminoantipyrine and six of its Schiff base derivatives Acta Crystallographica Section C, 2015, 71 |
2019896 | CIF HKL Paper | C16 H15.5 Cd2 N12 O5.75 | P 61 | 13.3384; 13.3384; 24.957 90; 90; 120 | 3845.3 | 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, 2015, 71 |
2021264 | CIF HKL Paper | C36 H25 Eu N6 O14 | P 61 | 14.981; 14.981; 27.897 90; 90; 120 | 5422 | 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, 2018, 74 |
2021266 | CIF HKL Paper | C36 H25 Gd N6 O14 | P 61 | 14.9709; 14.9709; 27.952 90; 90; 120 | 5425.5 | 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, 2018, 74 |
2021268 | CIF HKL Paper | C36 H25 Dy N6 O14 | P 61 | 14.9066; 14.9066; 27.948 90; 90; 120 | 5378.2 | 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, 2018, 74 |
2021270 | CIF HKL Paper | C36 H25 N6 O14 Tb | P 61 | 14.962; 14.962; 27.974 90; 90; 120 | 5423.3 | 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, 2018, 74 |
2100579 | CIF Paper | C15 H18 O6 | P 61 | 11.3588; 11.3588; 20.2725 90; 90; 120 | 2265.18 | 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, 2006, 62, 864-874 |
2100990 | CIF Paper | C4 H12 Br3 Cd N | P 61 | 9.219; 9.219; 20.86 90; 90; 120 | 1535.4 | 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, 1993, 49, 691-698 |
2102921 | CIF Paper | B2 H8 Mg | P 61 | 10.3414; 10.3414; 37.086 90; 90; 120 | 3434.8 | 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, 2007, 63, 561-568 |
2103452 | CIF HKL Paper | C8.7 H17.05 N2.35 O3 | P 61 | 14.1635; 14.1635; 9.8702 90; 90; 120 | 1714.74 | Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B, 2002, 58, 849-854 |
2103453 | CIF HKL Paper | C8 H16 N2 O3 | P 61 | 14.2957; 14.2957; 9.9077 90; 90; 120 | 1753.53 | Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B, 2002, 58, 849-854 |
2103454 | CIF HKL Paper | C10 H16 N2 O3 | P 61 | 14.3102; 14.3102; 9.8997 90; 90; 120 | 1755.7 | Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B, 2002, 58, 849-854 |
2103455 | CIF HKL Paper | C8.51 H15.6 N2 O3.44 | P 61 | 28.7247; 28.7247; 9.9009 90; 90; 120 | 7074.8 | Görbitz, Carl Henrik An exceptionally stable peptide nanotube system with flexible pores Acta Crystallographica Section B, 2002, 58, 849-854 |
2105528 | CIF Paper | C24 H39 N O3 | P 61 | 14.564; 14.564; 20.282 90; 90; 120 | 3725.7 | Maurin, J. K. Oxime‒Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes' Acta Crystallographica Section B, 1998, 54, 866-871 |
2105591 | CIF Paper | C32 H36 N2 Ni O8 | P 61 | 18.498; 18.498; 16.328 90; 90; 120 | 4838.5 | 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, 1998, 54, 250-256 |
2106212 | CIF | C4 H2 Cs2 N4 O Pt | P 61 | 9.709; 9.709; 19.343 90; 90; 120 | 1579.08 | 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), 1977, 33, 1293-1295 |
2106380 | CIF | In2 Se3 | P 61 | 7.11; 7.11; 19.34 90; 90; 120 | 846.694 | Likforman, A.; Hillel, R.; Carre, D. Structure cristalline du seleniure d'indium In2 Se3 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1-5 |
2107320 | CIF | Ba H2 N2 O5 | P 61 | 7.07; 7.07; 17.886 90; 90; 120 | 774.253 | 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-), 1989, 45, 348-355 |
2201003 | CIF HKL Paper | C19 H17 Cl N2 O3 | P 61 | 11.075; 11.075; 24.4 90; 90; 120 | 2592 | Višnjevac, Aleksandar; Avdagić, Amir; Kojić-Prodić, Biserka 3(<i>S</i>)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2<i>H</i>-1,4-benzodiazepin-2-one Acta Crystallographica Section E, 2002, 58, o148-o150 |
2209906 | CIF HKL Paper | C16 H30 O5 | P 61 | 9.9315; 9.9315; 29.113 90; 90; 120 | 2486.8 | 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 <i>Chrysanthemum indicum</i> L. Acta Crystallographica Section E, 2006, 62, o3570-o3571 |
2212583 | CIF HKL Paper | C16 H17 Cl O2 Sn | P 61 | 10.8105; 10.8105; 25.8402 90; 90; 120 | 2615.28 | Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng A hexagonal modification of <i>catena</i>-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^<i>O</i>:<i>O</i>'] Acta Crystallographica Section E, 2007, 63, m913-m914 |
2214505 | CIF HKL Paper | C10 H18 N2 O9 S Zn | P 61 | 11.4275; 11.4275; 20.9322 90; 90; 120 | 2367.27 | Ng, Seik Weng A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] Acta Crystallographica Section E, 2007, 63, m2225-m2226 |
2214614 | CIF HKL Paper | C19 H22 I N | P 61 | 9.773; 9.773; 32.63 90; 90; 120 | 2699 | Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis (3<i>R</i>,4<i>S</i>)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide Acta Crystallographica Section E, 2007, 63, o3355-o3355 |
2216482 | CIF HKL Paper | C18 H14 I N O4 | P 61 | 10.1246; 10.1246; 29.528 90; 90; 120 | 2621.3 | Wu, Zhou; Shen, Peng; Jiang, Shende (<i>S</i>)-Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate Acta Crystallographica Section E, 2007, 63, o4871-o4871 |
2226088 | CIF HKL Paper | C35 H42 O14 | P 61 | 17.7635; 17.7635; 19.6294 90; 90; 120 | 5364.1 | Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha Xyloccensin E Acta Crystallographica Section E, 2010, 66, o1348-o1349 |
2228742 | CIF HKL Paper | C18 H20 N2 O | P 61 | 10.1838; 10.1838; 25.965 90; 90; 120 | 2332.1 | Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M. (<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Acta Crystallographica Section E, 2011, 67, o67 |
2229228 | CIF HKL Paper | C28 H24 N4 O4 | P 61 | 20.753; 20.753; 10.446 90; 90; 120 | 3896.2 | 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, 2011, 67, o308-o309 |
2230280 | CIF HKL Paper | C13 H21 N O8 | P 61 | 13.2581; 13.2581; 16.462 90; 90; 120 | 2506 | Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin 1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-<small>D</small>-allofuranose Acta Crystallographica Section E, 2011, 67, o1402 |
2231406 | CIF HKL Paper | C50 H70 Br2 Cu3 N10 O6 | P 61 | 18.745; 18.745; 28.2531 90; 90; 120 | 8597.4 | 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, 2011, 67, m1197-m1198 |
2233368 | CIF HKL Paper | C3 H4 N2 O2 S | P 61 | 11.924; 11.924; 20.111 90; 90; 120 | 2476.3 | Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju 5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one Acta Crystallographica Section E, 2012, 68, o475 |
2234816 | CIF HKL Paper | C15.33 H21.67 N O | P 61 | 16.9133; 16.9133; 8.4451 90; 90; 120 | 2092.15 | Berger, Matthias; Bats, Jan W.; Auner, Norbert <i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate Acta Crystallographica Section E, 2012, 68, o1565 |
2237708 | CIF HKL Paper | C14 H16 Cl N O2 | P 61 | 17.075; 17.075; 9.4536 90; 90; 120 | 2387 | Jin, Xiu-Dan; Wu, Jin-Long 2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide Acta Crystallographica Section E, 2013, 69, o505 |
2238695 | CIF Paper | C7 H13 N O | P 61 | 6.2076; 6.2076; 29.8731 90; 90; 120 | 996.92 | Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle (<i>R</i>)-({-})-Quinuclidin-3-ol Acta Crystallographica Section E, 2013, 69, o1672 |
2240190 | CIF HKL | C14 H13 Cl N2 O2 S | P 61 | 10.8907; 10.8907; 21.4542 90; 90; 120 | 2203.71 | 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, 2014, 70, o1250-o1251 |
3000010 | CIF | K4 O7 P2 | P 61 | 10.21145; 10.21145; 42.6958 90; 90; 120 | 3855.59 | Armel Le Bail; Thomas Hansen; Wilson A. Crichton Tetrapotassium pyrophosphates gamma and delta-K4P2O7 Powder Diffraction, 2013, 28, 2-12 |
4000975 | CIF | C11 H44 In6 N11 Te9 | P 61 | 11.6147; 11.6147; 51.9135 90; 90; 120 | 6064.9 | 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, 2009, 21, 12 |
4020882 | CIF | C42 H42 O9 | P 61 | 16.367; 16.367; 23.64 90; 90; 120 | 5483.9 | 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, 2004, 69, 2526-2531 |
4021070 | CIF | C44 H34 Co F6 N O3 Pd | P 61 | 11.4413; 11.4413; 50.149 90; 90; 120 | 5685.2 | 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, 2004, 69, 8101-8104 |
4021497 | CIF | C14 H25 Cl O | P 61 | 12.447; 12.447; 49.29 90; 90; 120 | 6613 | 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, 2006, 71, 1493-1501 |
4023244 | CIF | C23 H22 N4 | P 61 | 8.9977; 8.9977; 40.312 90; 90; 120 | 2826.4 | 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, 2008, 73, 1128-1130 |
4027637 | CIF | C40 H42 Br N O7 Si | P 61 | 26.146; 26.146; 9.7191 90; 90; 120 | 5754 | 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, 2012, 77, 9458-9472 |
4030770 | CIF | C27 H22 Br N O6 | P 61 | 8.5221; 8.5221; 57.101 90; 90; 120 | 3591.4 | Peris, Gorka; Vedejs, Edwin Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a. The Journal of organic chemistry, 2015, 80, 3050-3057 |
4030984 | CIF | C14 H17 F3 N2 O2 | P 61 | 15.74885; 15.74885; 11.05787 90; 90; 120 | 2375.2 | 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, 2015, 80, 5415-5427 |
4033666 | CIF | C25.75 H30 O | P 61 | 23.9466; 23.9466; 6.5821 90; 90; 120 | 3268.8 | 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 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!