Crystallography Open Database
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Searching space group like 'P 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1507994 | CIF | C26 H29 B2 Br N2 O4 | P 1 | 9.058; 9.824; 14.734 98.499; 96.322; 92.204 | 1286.8 | Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G. Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds. Nature chemistry, 2011, 3, 894-899 |
| 1508337 | CIF | C24 H34 Br Cl N4 O7 | P 1 | 5.6722; 8.1511; 14.9077 102.962; 94.38; 93.876 | 667.18 | Kopina, Brett J.; Lauhon, Charles T. Efficient preparation of 2,4-diaminopyrimidine nucleosides: total synthesis of lysidine and agmatidine. Organic letters, 2012, 14, 4118-4121 |
| 1508358 | CIF | C24 H37 N O4 | P 1 | 5.6229; 8.7918; 12.5901 81.487; 82.616; 76.535 | 595.75 | Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E. Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination. Organic letters, 2012, 14, 4278-4281 |
| 1508399 | CIF | C56 H102.5 O50.75 | P 1 | 15.4039; 15.2813; 17.8904 99.662; 113.423; 102.481 | 3618.4 | Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals, 2012, 2, 1441-1454 |
| 1508615 | CIF | C62 H64 Ag F3 N4 O8 S | P 1 | 10.1935; 10.3796; 13.4375 79.073; 84; 81.856 | 1377.5 | Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution. Organic letters, 2012, 14, 4576-4579 |
| 1508696 | CIF | C20 H31 Br N2 O5 | P 1 | 8.0748; 15.1323; 29.19 98.815; 92.189; 105.25 | 3388.9 | Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M. Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes. Organic letters, 2012, 14, 5314-5317 |
| 1508808 | CIF | C15 H29 N O3 Si | P 1 | 6.8088; 8.1381; 32.921 90; 90; 90 | 1824.2 | Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA) Organic Letters, 2012, 14, 6222-6225 |
| 1508821 | CIF | C26 H20 | P 1 | 6.95; 7.4; 17.571 92.119; 96.424; 90.191 | 897.4 | Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation. The journal of physical chemistry. A, 2013, 117, 566-578 |
| 1508882 | CIF | C24 H19 N O5 S | P 1 | 5.737; 8.686; 10.931 83.072; 79.957; 75.074 | 516.6 | An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins. Organic letters, 2013, 15, 542-545 |
| 1508915 | CIF | C38 H44 N2 O8 S | P 1 | 10.54; 13.2962; 13.7619 71.577; 89.697; 69.957 | 1707.4 | Rajapaksa, Naomi S.; McGowan, Meredeth A.; Rienzo, Matthew; Jacobsen, Eric N. Enantioselective total synthesis of (+)-reserpine. Organic letters, 2013, 15, 706-709 |
| 1508932 | CIF | C22 H14 Cl4 N2 O5 | P 1 | 7.649; 11.8911; 12.6157 105.779; 98.658; 92.067 | 1088.06 | Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C. Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp. Organic letters, 2013, 15, 988-991 |
| 1510905 | CIF | B2 Cd2 O5 | P 1 | 6.36; 9.95; 3.45 90.83; 91.96; 105.47 | 210.227 | Belov, N.V.; Sokolova, E.V.; Simonov, M.A. Crystal structure of cadmium pyroborate Cd2 B2 O5 Doklady Akademii Nauk SSSR, 1979, 247, 603-606 |
| 1511275 | CIF | B O3 Sm | P 1 | 6.493; 6.499; 6.242 107.79; 107.42; 93.33 | 236.037 | Kuznetsova, V.G.; Dzhurinskii, B.F.; Palkina, K.K.; Butman, L.A. The crystal structure of Sm B O3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1976, 2, 286-289 |
| 1511764 | CIF | C20 H30 Br2 N8 O13 Pd | P 1 | 6.962; 10.242; 10.547 85.1; 73.24; 89.17 | 717.4 | Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; André L. Beauchamp; Xavier Solans Palladium(II)-Purine Nucleoside Complexes: Synthesis, Characterization and X-ray Determination Inorganica Chimica Acta, 1993, 204, 213-220 |
| 1511765 | CIF | C20 H34 Cl2 N8 O15 Pd | P 1 | 15.681; 7.406; 6.846 92.99; 105.25; 85.48 | 764.3 | Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; André L. Beauchamp; Xavier Solans Palladium(II)-Purine Nucleoside Complexes: Synthesis, Characterization and X-ray Determination Inorganica Chimica Acta, 1993, 204, 213-220 |
| 1511767 | CIF | C23 H27 Br O4 | P 1 | 6.669; 9.235; 10.462 67.05; 73.43; 69.22 | 546.6 | Alejandro F. Barrero; M. Mar Herrador; José Molina; José F. Quílez; Miguel Quirós α-Longipinene Derivatives from Santolina Viscosa. A Conformational Analysis of the Cycloheptane Ring Journal of Natural Products, 1994, 57, 873-881 |
| 1511789 | CIF | C22 H42 B2 F4 Li2 O14 | P 1 | 8.554; 8.841; 12.929 93.573; 108.72; 114.576 | 820.1 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511851 | CIF | C36.25 H54 F3 N8 O6.25 | P 1 | 15.0672; 15.6539; 17.4818 97.737; 99.263; 97.544 | 3982.82 | Chouhan, Gagan; James, Keith Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization. Organic letters, 2013, 15, 1206-1209 |
| 1511909 | CIF | C20 H19 Br N4 O3 | P 1 | 9.2928; 10.4817; 11.6022 75.347; 66.757; 89.136 | 1000.04 | Chen, Xianjie; Chen, Hui; Ji, Xun; Jiang, Hualiang; Yao, Zhu-Jun; Liu, Hong Asymmetric One-Pot Sequential Mannich/Hydroamination Reaction by Organo- and Gold Catalysts: Synthesis of Spiro[pyrrolidin-3,2'-oxindole] Derivatives. Organic letters, 2013, 15, 1846-1849 |
| 1512323 | CIF | C22 H25 N2 O10.5 | P 1 | 6.3054; 9.0002; 20.798 97.215; 92.994; 98.644 | 1154.59 | Granda, Jarosław M.; Jurczak, Janusz Sweet Anion Receptors: Recognition of Chiral Carboxylate Anions byd-Glucuronic-Acid-Decorated Diindolylmethane Organic Letters, 2013, 15, 4730 |
| 1512329 | CIF | C18 H24 Br N3 O4 | P 1 | 5.72; 11.095; 15.48 83.6; 88.96; 80.16 | 962 | Li, Dong Bo; Rogers-Evans, Mark; Carreira, Erick M. Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes. Organic letters, 2013, 15, 4766-4769 |
| 1512811 | CIF | C34 H28 N4 O10 Zn | P 1 | 5.0612; 10.1638; 16.0051 83.651; 88.514; 87.149 | 817.08 | Devendra Singh; Jubaraj B. Baruah Hydroxy-carboxylates of manganese, zinc and cadmium Inorganica Chimica Acta, 2013, 394, 703-709 |
| 1512812 | CIF | C48 H39 Mn2 N4 O28 | P 1 | 5.5897; 16.5961; 16.6125 73.622; 85.665; 82.482 | 1464.64 | Devendra Singh; Jubaraj B. Baruah Hydroxy-carboxylates of manganese, zinc and cadmium Inorganica Chimica Acta, 2013, 394, 703-709 |
| 1512989 | CIF | C26 H36 N6 O15 S2 Zn2 | P 1 | 7.5389; 10.1054; 13.185 69.441; 81.181; 69.029 | 877.8 | Amal Cherian Kathalikkattil; P.S. Subramanian; Eringathodi Suresh Structural diversity in two dimensional chiral coordination polymers involving 4,4'bipyridine and l-cysteate as bridging ligands with Zn and Cd metal centres: Synthesis, characterization and X-ray crystallographic studies Inorganica Chimica Acta, 2011, 365, 363-370 |
| 1513025 | CIF | C54 H92 Co8 N12 O45 | P 1 | 13.9081; 13.9147; 14.0033 113.529; 111.7; 102.769 | 2081.3 | Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities Inorganica Chimica Acta, 2013, 397, 48-59 |
| 1513062 | CIF | C14 H15 Cl2 N3 O2 | P 1 | 4.8102; 5.795; 13.462 84.048; 87.302; 83.256 | 370.4 | Ivanova, Bojidarka; Spiteller, Michael Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013, 76, 415 |
| 1513360 | CIF | C38 H48 N4 O9 | P 1 | 10.1848; 10.362; 10.3848 71.742; 67.38; 60.647 | 871.11 | Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F. Journal of natural products, 2014, 77, 327-338 |
| 1513374 | CIF | C23 H24 O8 | P 1 | 10.4726; 11.2226; 11.4289 60.65; 89.832; 67.745 | 1055.4 | Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K. Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus. Journal of natural products, 2014, 77, 70-78 |
| 1513446 | CIF | C74 H78 F8 I2 N2 | P 1 | 14.078; 15.968; 16.71 107.796; 101.993; 90.015 | 3490.3 | Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex. Organic letters, 2014, 16, 1136-1139 |
| 1513483 | CIF | C28 H28 N2 O2 | P 1 | 9.3592; 9.858; 13.1796 86.612; 87.077; 84.894 | 1207.77 | Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters Organic Letters, 2014, 16, 776-779 |
| 1513520 | CIF | C15 H19 N3 O2 | P 1 | 8.665; 8.848; 10.375 74.678; 79.658; 83.356 | 752.7 | Wu, Kui; Fan, Zhoulong; Xue, Yu; Yao, Qizheng; Zhang, Ao Rh(III)-catalyzed intermolecular C-H amination of 1-aryl-1H-pyrazol-5(4H)-ones with alkylamines. Organic letters, 2014, 16, 42-45 |
| 1513746 | CIF | C49 H37 F6 N3 O2 S2 | P 1 | 11.2226; 14.6368; 14.7457 82.159; 68.326; 88.858 | 2228.66 | Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 199-204 |
| 1513747 | CIF | C49 H37 F6 N3 O2 S2 | P 1 | 11.203; 14.6411; 14.7813 82.469; 68.116; 89.224 | 2228.7 | Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 199-204 |
| 1513752 | CIF | C24 H27 N O6 | P 1 | 4.9526; 10.2028; 10.7011 92.352; 94.615; 96.777 | 534.51 | Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A. Photooxygenation mechanisms in naproxen-amino acid linked systems. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 224-230 |
| 1513799 | CIF | C11 H13 N5 O5 | P 1 | 4.9116; 8.8528; 13.96 105.332; 93.529; 91.847 | 583.54 | Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures. Nature communications, 2014, 5, 3108 |
| 1513829 | CIF | C23 H40 I N O5 Si2 | P 1 | 9.2285; 12.5843; 12.7057 99.428; 109.693; 94.741 | 1355.32 | Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A. Organic letters, 2014, 16, 1306-1309 |
| 1514212 | CIF | C18 H25 N O6 | P 1 | 6.5131; 7.9315; 9.954 90.89; 94.28; 112.44 | 473.4 | Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers. Organic letters, 2014, 16, 1936-1939 |
| 1514515 | CIF | C25 H26 Cl2 F25 N3 O8 P4 Rh2 | P 1 | 10.1595; 10.386; 12.0283 73.962; 69.049; 71.477 | 1104.74 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
| 1514536 | CIF | C38 H62 O9 | P 1 | 8.7254; 9.5176; 12.415 89.65; 80.46; 70.65 | 958 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
| 1514550 | CIF | C27 H32 O11 | P 1 | 9.4188; 9.7589; 15.1515 96.812; 97.849; 109.187 | 1282.95 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
| 1514581 | CIF | C28 H27 N3 O3 | P 1 | 9.552; 10.569; 13.458 71.185; 76.497; 77.422 | 1235.4 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
| 1514677 | CIF | C40 H54 I N3 O Pd | P 1 | 11.3782; 12.8716; 13.5328 103.493; 91.2746; 90.1766 | 1926.7 | Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study Chemical Science, 2013, 4, 1995 |
| 1514715 | CIF | C16 H12 N O2 S | P 1 | 6.0479; 8.1021; 14.5564 81.543; 83.748; 72.375 | 670.83 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
| 1514777 | CIF | C32.33 H36.66 Cl0.66 N4 O10 S Si | P 1 | 13.7346; 16.0038; 17.3585 100.01; 92.214; 108.59 | 3543.2 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
| 1514822 | CIF | C19 H37 Cl N8 Ni O8 Zn | P 1 | 8.5274; 12.4106; 13.0776 98.754; 96.004; 90.074 | 1360.17 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
| 1514975 | CIF | C71 H93 Ag3 Cl4 F12 N18 O8 P2 | P 1 | 12.6553; 13.0092; 15.1663 104.239; 112.9; 99.765 | 2128.75 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1515178 | CIF | C23 H22 O5 | P 1 | 7.7512; 8.1381; 8.4256 69.558; 79.669; 74.031 | 476.75 | Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity Chemical Science, 2012, 3, 1879 |
| 1515268 | CIF | C18 H21 N O6 | P 1 | 11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227 | 1730.44 | Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121 |
| 1515275 | CIF | C14 H21 N9 O6 | P 1 | 15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537 | 3853.3 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515278 | CIF | C56 H118 N13 O47 S5 | P 1 | 6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176 | 2534 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
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