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 |
| 1515320 | CIF | C35 H38 N4 Ni O5 | P 1 | 10.232; 12.112; 12.792 76.697; 79.053; 81.737 | 1506.4 | Tamiaki, Hitoshi; Okamoto, Yukihiro; Mikata, Yuji; Shoji, Sunao Photooxidative cleavage of zinc 20-substituted chlorophyll derivatives: conformationally P-helix-favored formation of regioselectively 19-20 opened linear tetrapyrroles. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2012, 11, 898-907 |
| 1515345 | CIF | C142 H226 N10 O16 | P 1 | 6.1385; 14.6387; 37.9634 83.436; 86; 80.353 | 3336.63 | Svobodová, Hana; Nonappa,; Lahtinen, Manu; Wimmer, Zdeněk; Kolehmainen, Erkki A steroid-based gelator of A(LS)2 type: tuning gel properties by metal coordination Soft Matter, 2012, 8, 7840 |
| 1515556 | CIF | C96 H102 Cl N5 O20 | P 1 | 11.009; 17.213; 25.06 73.3; 82.6; 79.77 | 4461 | Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D. Cation-induced molecular motion of spring-like [2]catenanes Chemical Science, 2011, 2, 922 |
| 1515785 | CIF | C104 H151 N11 O10 | P 1 | 8.932; 12.45; 22.583 93.679; 100.549; 98.64 | 2429.96 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515870 | CIF | C77 H56 B F24 Ir N O P | P 1 | 12.8218; 14.836; 18.8757 96.898; 99.557; 95.874 | 3487.6 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515871 | CIF | C23 H19 N O | P 1 | 7.6503; 12.8616; 18.8654 106.228; 98.815; 101.265 | 1704.86 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515999 | CIF | C61 H48 Cl Fe O3 P2 Rh | P 1 | 9.356; 10.965; 12.863 75.982; 74.937; 78.025 | 1221.5 | Tanaka, Kenichi; Kinbara, Kazushi Toward autonomously operating molecular machines driven by transition-metal catalyst. Molecular bioSystems, 2008, 4, 512-514 |
| 1516022 | CIF | C36.5 H68 O15.5 | P 1 | 7.1558; 12.8203; 21.033 85.657; 88.636; 77.863 | 1880.95 | Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang Dammarane-Type Triterpenoids from Gentianella azurea. Journal of natural products, 2014, 77, 1201 |
| 1516269 | CIF | C73 H48 B F15 O7 U | P 1 | 15.1204; 16.1764; 16.4479 112.966; 96.391; 115.286 | 3157 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516334 | CIF | C24 H21 Br2 N | P 1 | 8.187; 9.207; 27.256 90.044; 89.948; 106.384 | 1971.1 | Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105 |
| 1516351 | CIF | C28 H60 O2 P2 Pd S2 | P 1 | 8.538; 10.605; 11.064 67.828; 81.864; 85.056 | 917.8 | Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A, 2009, 113, 14730-14740 |
| 1516526 | CIF | C28 H30 N2 O3 | P 1 | 6.63; 8.27; 22.07 89.6; 87.7; 80 | 1191 | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351 |
| 1516734 | CIF | C108 H170 N2 O100 | P 1 | 18.071; 15.375; 15.554 104.07; 113.02; 98.53 | 3711.9 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516735 | CIF | C108 H170 N2 O97 | P 1 | 18.025; 15.364; 15.541 103.83; 113.06; 98.61 | 3699.8 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516736 | CIF | C108 H170 N2 O99 | P 1 | 17.97; 15.393; 15.514 103.18; 113.22; 98.91 | 3693.4 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516737 | CIF | C108 H170 N2 O102 | P 1 | 17.915; 15.405; 15.542 103.04; 113.35; 99.15 | 3685.5 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516738 | CIF | C108 H170 N2 O100 | P 1 | 17.896; 15.389; 15.519 103.01; 113.43; 99.07 | 3672 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516739 | CIF | C108 H154 N2 O101 | P 1 | 17.78; 15.31; 15.35 102.76; 113.31; 99.24 | 3596 | Clark, Joanna L.; Peinado, Jessica; Stezowski, John J.; Vold, Robert L.; Huang, Yuanyuan; Hoatson, Gina L. Molecular recognition in cyclodextrin complexes of amino acid derivatives: the effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. The journal of physical chemistry. B, 2006, 110, 26375-26387 |
| 1516764 | CIF | C13 H17 N O S | P 1 | 6.208; 7.7318; 14 100.602; 91.28; 104.16 | 638.8 | Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides. Organic letters, 2014, 16, 3624 |
| 1516961 | CIF | C38 H32 N2 O2 Pd | P 1 | 6.683; 15.639; 15.685 88.127; 84.123; 79.058 | 1600.9 | Takashi Tsuno; Haruka Iwabe; Henri Brunner Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands Inorganica Chimica Acta, 2013, 400, 262-266 |
| 1516968 | CIF | C23 H19 Br O4 | P 1 | 8.0129; 8.8764; 14.284 75.661; 88.56; 73.636 | 943.3 | Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins. Organic letters, 2014, 16, 3728 |
| 1517178 | CIF | C22 H19 Cl N2 O2 S | P 1 | 10.0479; 10.4624; 10.6624 93.078; 90.52; 118.662 | 981.34 | Wang, Hui; Li, Yi; Xu, Ming-Hua Rhodium-catalyzed highly enantioselective arylation of cyclic diketimines: efficient synthesis of chiral tetrasubstituted 1,2,5-thiadiazoline 1,1-dioxides. Organic letters, 2014, 16, 3962-3965 |
| 1517195 | CIF | C16 H12 Br N O | P 1 | 6.3154; 8.1371; 14.3362 85.222; 78.52; 70.043 | 678.53 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517210 | CIF | C56 H66 F6 N4 O6 Zn2 | P 1 | 10.3348; 10.8803; 13.2532 113.176; 96.805; 91.083 | 1356.84 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517233 | CIF | C19 H21 N O3 S | P 1 | 7.176; 10.859; 12.059 100.648; 106.125; 95.565 | 876.2 | Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes. Organic letters, 2014, 16, 4118-4121 |
| 1517266 | CIF | C65 H87 N O14 | P 1 | 11.0003; 11.3149; 11.9224 88.459; 75.604; 82.956 | 1426.49 | Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi. Organic letters, 2014, 16, 4216-4219 |
| 1517364 | CIF | C103 H57 B F46 Mn N O P4 | P 1 | 13.826; 14.0301; 14.8023 108.714; 109.969; 96.491 | 2474.82 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517403 | CIF | C35 H35 O17.5 S1.5 | P 1 | 9.18695; 9.48126; 21.1713 82.38; 83.5029; 79.8305 | 1791.47 | Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231. Journal of natural products, 2014, 77, 2021-2028 |
| 1517804 | CIF | C30 H48 O7 | P 1 | 12.9465; 14.7156; 15.0171 89.616; 73.336; 78.252 | 2679.35 | Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Huang, Zheng; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei Anti-inflammatory Ursane- and Oleanane-Type Triterpenoids from Vitex negundo var. cannabifolia. Journal of natural products, 2014, 77, 2248-2254 |
| 1517814 | CIF | C36 H40 Br2 O6 | P 1 | 7.58; 12.228; 20.041 97.8; 97; 107.58 | 1728.1 | Kanoh, Naoki; Kawamata, Ayano; Itagaki, Tomohiro; Miyazaki, Yuta; Yahata, Kenzo; Kwon, Eunsang; Iwabuchi, Yoshiharu A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis of FD-891. Organic letters, 2014, 16, 5216-5219 |
| 1517959 | CIF | C11 H9 Cl N4 O2 | P 1 | 7.0512; 8.2526; 10.6656 73.101; 82.494; 86.39 | 588.55 | Wu, Xiu-Ping; Su, Yan; Gu, Peiming Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates. Organic letters, 2014, 16, 5339-5341 |
| 1518071 | CIF | C17 H26 N2 O9 | P 1 | 5.0198; 9.5967; 10.9206 84.776; 82.397; 83.744 | 516.78 | Blériot, Yves; Auberger, Nicolas; Jagadeesh, Yerri; Gauthier, Charles; Prencipe, Giuseppe; Tran, Anh Tuan; Marrot, Jérôme; Désiré, Jérôme; Yamamoto, Arisa; Kato, Atsushi; Sollogoub, Matthieu Synthesis of 1,2-cis-Homoiminosugars Derived from GlcNAc and GalNAc Exploiting a β-Amino Alcohol Skeletal Rearrangement. Organic letters, 2014, 16, 5512-5515 |
| 1518131 | CIF | C18 H29 N O3 | P 1 | 5.8126; 12.6069; 13.068 102.911; 92.604; 90.251 | 932.3 | Arai, Kenzo; Buonamici, Silvia; Chan, Betty; Corson, Laura; Endo, Atsushi; Gerard, Baudouin; Hao, Ming-Hong; Karr, Craig; Kira, Kazunobu; Lee, Linda; Liu, Xiang; Lowe, Jason T.; Luo, Tuoping; Marcaurelle, Lisa A.; Mizui, Yoshiharu; Nevalainen, Marta; O'Shea, Morgan Welzel; Park, Eun Sun; Perino, Samantha A.; Prajapati, Sudeep; Shan, Mingde; Smith, Peter G.; Tivitmahaisoon, Parcharee; Wang, John Yuan; Warmuth, Markus; Wu, Kuo-Ming; Yu, Lihua; Zhang, Huiming; Zheng, Guo-Zhu; Keaney, Gregg F. Total Synthesis of 6-Deoxypladienolide D and Assessment of Splicing Inhibitory Activity in a Mutant SF3B1 Cancer Cell Line. Organic letters, 2014, 16, 5560-5563 |
| 1518344 | CIF | C24 H26 N2 O5 | P 1 | 6.25441; 12.592; 13.61853 100.755; 92.7028; 95.0674 | 1047.35 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518416 | CIF | C34 H35 N O14 | P 1 | 7.4957; 12.0298; 17.8347 87.387; 87.555; 74.708 | 1548.85 | Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan Pentacyclic antibiotics from a tidal mud flat-derived actinomycete. Journal of natural products, 2015, 78, 524-529 |
| 1518484 | CIF | C54 H75 N8 O16 S | P 1 | 9.1948; 12.5947; 13.668 79.379; 77.83; 78.547 | 1499.6 | Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Raja, K. Muruga Poopathi; Gopi, Hosahudya N. Design of Stable β-Hairpin Mimetics through Backbone Disulfide Bonds. Organic letters, 2015, 17, 230-233 |
| 1518546 | CIF | C9 H5 F3 Mo O3 | P 1 | 6.453; 6.544; 6.7851 107.752; 97.132; 107.192 | 253.356 | Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E. Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation Catal. Sci. Technol., 2015, 5, 2282 |
| 1518618 | CIF | C20 H17 Br N2 O | P 1 | 9.8359; 10.161; 10.307 76.557; 73.136; 64.754 | 884.6 | Fu, Niankai; Zhang, Long; Luo, Sanzhong Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone. Organic letters, 2015, 17, 382-385 |
| 1518777 | CIF | C28 H36 F36 Mg2 N8 O26 S12 | P 1 | 11.4359; 12.0538; 13.8956 69.152; 82.96; 81.651 | 1765.86 | Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes The Journal of Physical Chemistry C, 2015, 119, 5878 |
| 1518820 | CIF | C23 H17 N O | P 1 | 9.9575; 10.7208; 16.4862 91.531; 105.749; 104.208 | 1633.82 | Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence. Organic letters, 2015, 17, 1481-1484 |
| 1519161 | CIF | C24 H12 N6 | P 1 | 11.276; 12.833; 12.915 99.7; 112.31; 115.53 | 1431.4 | Janczak, Jan; Kubiak, Ryszard Tris(2-cyanophenyl)-1,3,5-triazine: a By-product of Metallophthalocyanine Synthesis Acta Chemica Scandinavica, 1999, 53, 602-610 |
| 1519350 | CIF | C18 H51 Na3 O15 Si3 | P 1 | 9.1615; 10.1143; 18.1371 88.586; 80.238; 70.995 | 1565.16 | Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B. C36H102Na6O30Si6 Crystal Structure Report Archive, 2001, 826 |
| 1519496 | CIF | C22 H20 Br N | P 1 | 6.134; 7.123; 10.777 102.328; 106.299; 90.659 | 440.2 | Zhang, Zhenhua; Du, Haifeng Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines. Organic letters, 2015, 17, 2816-2819 |
| 1519904 | CIF | C12 H25 N O5 | P 1 | 6.1782; 7.5786; 8.0969 100.526; 91.585; 107.06 | 355 | Callear, Samantha K.; Hursthouse, Michael B. 1,1,3,3-Tetramethylbutylammonium malate Crystal Structure Report Archive, 2008, 560 |
| 1519956 | CIF | C13 H28 N2 O14 | P 1 | 7.4774; 7.7071; 16.2943 88.321; 86.355; 89.778 | 936.72 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. 1-Methylpiperazinium di(L-tartrate) dihydrate Crystal Structure Report Archive, 2008, 583 |
| 1519975 | CIF | C5 H11 N O6 | P 1 | 5.158; 5.3261; 7.5218 78.735; 83.33; 79.077 | 198.31 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. Methylammonium L-tartrate Crystal Structure Report Archive, 2008, 579 |
| 1520139 | CIF | C34 H38 N4 O2 | P 1 | 9.631; 10.027; 15.551 86.83; 87.67; 78.27 | 1467.5 | Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12700-12710 |
| 1520481 | CIF | C13 H0 F3 N | P 1 | 6.3923; 7.4769; 21.635 90; 90.03; 90 | 1034 | Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S. (E)-2,4-difluoro-N-(4-fluorobenzylidene)aniline Crystal Structure Report Archive, 2010, 1426 |
| 1520534 | CIF | C20 H20 N4 O4 | P 1 | 7.9466; 14.9541; 16.2556 78.9198; 79.5663; 82.7612 | 1856 | Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M. Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation. Chemical science (Royal Society of Chemistry : 2010), 2015, 6, 4479-4483 |
| 1521026 | CIF | O11 Sr3 Te4 | P 1 | 7.531; 9.24; 9.546 98.07; 109.55; 102.19 | 595.586 | Dytyatev, O.A.; Dolgikh, V.A. On the crystal structure of a new binary oxide Sr3 Te4 O11 Materials Research Bulletin, 1999, 34, 733-740 |
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