Crystallography Open Database
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Searching space group like 'P c a 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4001349 | CIF | C40 H66 Ca O5 | P c a 21 | 21.576; 9.778; 19.013 90; 90; 90 | 4011.2 | Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A. Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics Chemistry of Materials, 2007, 19, 2016 |
| 4001397 | CIF | C12 H10 Be N4 | P c a 21 | 17.3571; 8.5357; 8.0293 90; 90; 90 | 1189.58 | Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J. Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues Chemistry of Materials, 2007, 19, 5890 |
| 4001511 | CIF | C6 H22 B10 | P c a 21 | 10.969; 21.912; 10.902 90; 90; 90 | 2620.3 | Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G. Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors Chemistry of Materials, 2006, 18, 1113 |
| 4001577 | CIF | C12 H6 S4 | P c a 21 | 23.66; 5.9832; 15.709 90; 90; 90 | 2223.8 | Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J. Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes Chemistry of Materials, 2006, 18, 3470 |
| 4001799 | CIF | Ba4 Nb2 O9 | P c a 21 | 12.0872; 24.8979; 21.0015 90; 90; 90 | 6320.3 | Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D. Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9 Chemistry of Materials, 2013, 25, 3154 |
| 4001863 | CIF | Ba8 S15 Sn4 | P c a 21 | 28.715; 8.5084; 25.367 90; 90; 90 | 6197.6 | Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure Chemistry of Materials, 2014, 26, 1093 |
| 4002669 | CIF | C54 H84 I14 N6 Pb4 | P c a 21 | 8.5278; 29.824; 33.208 90; 90; 90 | 8445.9 | Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M. Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids Chemistry of Materials, 2016, 28, 4554 |
| 4002729 | CIF | In8 Na4 S2 Se12 | P c a 21 | 14.8082; 15.8608; 12.5156 90; 90; 90 | 2939.54 | Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds Chemistry of Materials, 2017, 29, 1796 |
| 4002841 | CIF | C4 H8 Cl2 Fe2 Li2 O12 | P c a 21 | 11.449; 11.435; 10.144 90; 90; 90 | 1328 | Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions Chemistry of Materials, 2017, 29, 6616 |
| 4002856 | CIF | C24 H60 Br12 Pb3 S6 | P c a 21 | 22.1968; 11.207; 21.0031 90; 90; 90 | 5224.7 | Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I. Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids Chemistry of Materials, 2017, 29, 7083 |
| 4003043 | CIF | C24 H20 N2 O2 | P c a 21 | 16.771; 13.662; 8.2368 90; 90; 90 | 1887.3 | Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications Chemistry of Materials, 2019, 31, 5584 |
| 4003127 | CIF | C39 H40 N2 O5 | P c a 21 | 33.1112; 5.2976; 17.5164 90; 90; 90 | 3072.5 | Chen, Yao; Yang, Lin; Wu, Jianglin; Wang, Gang; Huang, Wei; Melkonyan, Ferdinand S.; Lu, Zhiyun; Huang, Yan; Marks, Tobin J.; Facchetti, Antonio Performance, Morphology, and Charge Recombination Correlations in Ternary Squaraine Solar Cells Chemistry of Materials, 2018, 30, 6810 |
| 4003510 | CIF | C36 H22 Co F3 I5 N6 | P c a 21 | 15.174; 20.313; 24.0911 90; 90; 90 | 7425.6 | Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C. Controlling Spin Switching with Anionic Supramolecular Frameworks Chemistry of Materials, 2020 |
| 4003567 | CIF | C22 H11 N5 | P c a 21 | 24.936; 7.2372; 9.2971 90; 90; 90 | 1677.8 | Liu, Kun; Lei, Yilong; Fu, Hongbing A General Synthetic Strategy to a Library of Luminescent All-Organic Core–Shell Microstructures Chemistry of Materials, 2020 |
| 4003671 | CIF | C4 H16 Br4 N4 O Pb S | P c a 21 | 22.334; 12.933; 11.629 90; 90; 90 | 3359 | Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization Chemistry of Materials, 2020 |
| 4003857 | CIF | C9 H6 O2 | P c a 21 | 15.5258; 5.669; 7.9119 90; 90; 90 | 696.37 | Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin Chemistry of Materials, 2021 |
| 4003858 | CIF | C9 H6 O2 | P c a 21 | 15.5205; 5.663; 7.9163 90; 90; 90 | 695.78 | Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin Chemistry of Materials, 2021 |
| 4003874 | CIF | F4 Mo O2 Sr | P c a 21 | 18.6213; 4.872; 9.8741 90; 90; 90 | 895.81 | Jo, Hongil; Lee, Min Hyung; Ok, Kang Min Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph Chemistry of Materials, 2021 |
| 4003875 | CIF | Ba F4 Mo O2 | P c a 21 | 19.436; 5.00774; 10.2481 90; 90; 90 | 997.45 | Jo, Hongil; Lee, Min Hyung; Ok, Kang Min Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph Chemistry of Materials, 2021 |
| 4003876 | CIF | F4 Mo O2 Pb | P c a 21 | 19.0225; 4.9121; 9.9183 90; 90; 90 | 926.77 | Jo, Hongil; Lee, Min Hyung; Ok, Kang Min Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph Chemistry of Materials, 2021 |
| 4003966 | CIF | C8 H32 Co13 N8 S12 | P c a 21 | 14.778; 11.066; 20.095 90; 90; 90 | 3286.2 | Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E. Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes Chemistry of Materials, 2021 |
| 4020098 | CIF | C14 H22 Cl N O | P c a 21 | 28.868; 7.868; 6.302 90; 90; 90 | 1431.5 | Shengming Ma; Bin Wu; Xuefeng Jiang Journal of Organic Chemistry, 2005, 70, 2588-2593 |
| 4020338 | CIF | C9 H12 O2 | P c a 21 | 15.4862; 8.2197; 12.8638 90; 90; 90 | 1637.5 | Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes Journal of Organic Chemistry, 2005, 70, 5561-5570 |
| 4020573 | CIF | C10 H13 N O3 S | P c a 21 | 9.932; 12.608; 8.663 90; 90; 90 | 1084.8 | Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine. Journal of Organic Chemistry, 2005, 70, 9599-9602 |
| 4020860 | CIF | C20 H22 O2 | P c a 21 | 15.9721; 8.8039; 11.4004 90; 90; 90 | 1603.09 | Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds Journal of Organic Chemistry, 2004, 69, 1557-1564 |
| 4020926 | CIF | C9 H12 O S2 | P c a 21 | 10.5789; 5.1685; 36.6393 90; 90; 90 | 2003.33 | Daniel B. Werz; Rolf Gleiter; Frank Rominger Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization Journal of Organic Chemistry, 2004, 69, 2945-2952 |
| 4020975 | CIF | C17 H24 O2 | P c a 21 | 9.6474; 9.557; 15.8983 90; 90; 90 | 1465.83 | Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D Journal of Organic Chemistry, 2004, 69, 3719-3725 |
| 4020993 | CIF | C17 H12 Cl2 N4 Zn | P c a 21 | 13.6939; 12.8453; 20.2516 90; 90; 90 | 3562.3 | Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes Journal of Organic Chemistry, 2004, 69, 3517-3525 |
| 4020995 | CIF | C16 H12 Cl2 N4 O2 Zn | P c a 21 | 13.661; 12.4381; 20.72 90; 90; 90 | 3520.7 | Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes Journal of Organic Chemistry, 2004, 69, 3517-3525 |
| 4021050 | CIF | C22 H24 O2 | P c a 21 | 16.9116; 5.5619; 36.4494 90; 90; 90 | 3428.45 | Jingkui Yang; David F. Cauble; Adam J. Berro; Nathan L. Bauld; Michael J. Krische Anion Radical [2 + 2] Cycloaddition as a Mechanistic Probe: Stoichiometry- and Concentration-Dependent Partitioning of Electron-Transfer and Alkylation Pathways in the Reaction of the Gilman Reagent Me~2~CuLi·LiI with Bis(enones) Journal of Organic Chemistry, 2004, 69, 7979-7984 |
| 4021346 | CIF | C12 H12 O2 | P c a 21 | 15.527; 6.0758; 20.691 90; 90; 90 | 1952 | Fuye Gao; D. Jean Burnell Reactions of 1,2-Bis(trimethylsilyloxy)cycloalkenes with the Diethyl Acetals of Aldehydes Journal of Organic Chemistry, 2006, 71, 356-359 |
| 4021441 | CIF | C23 H16 Br N3 O2 | P c a 21 | 17.428; 5.5538; 19.492 90; 90; 90 | 1886.6 | Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines Journal of Organic Chemistry, 2006, 71, 1009-1014 |
| 4021691 | CIF | C11 H6 F2 O2 | P c a 21 | 20.703; 5.5301; 7.6557 90; 90; 90 | 876.5 | Yi Wang; Donald J. Burton A Facile, General Synthesis of 3,4-Difluoro-6-substituted-2-pyrones Journal of Organic Chemistry, 2006, 71, 3859-3862 |
| 4021771 | CIF | C12 H15 F O | P c a 21 | 14.3874; 5.6698; 24.607 90; 90; 90 | 2007.3 | Susan B. Billings; K. A. Woerpel Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity Journal of Organic Chemistry, 2006, 71, 5171-5178 |
| 4021774 | CIF | C22 H28 O S | P c a 21 | 16.8009; 11.0584; 20.623 90; 90; 90 | 3831.6 | Susan B. Billings; K. A. Woerpel Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity Journal of Organic Chemistry, 2006, 71, 5171-5178 |
| 4021790 | CIF | C35 H26 O3 S | P c a 21 | 14.174; 13.068; 14.911 90; 90; 90 | 2761.9 | Thomas G. Back; Masood Parvez; Huimin Zhai Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran Journal of Organic Chemistry, 2006, 71, 5254-5259 |
| 4021857 | CIF | C18 H14 Br2 O2 | P c a 21 | 26.881; 4.4185; 13.2856 90; 90; 90 | 1578 | Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore A Practical Synthesis of Bridged Diarylacetylenes Journal of Organic Chemistry, 2006, 71, 6124-6129 |
| 4021884 | CIF | C23 H29 B O3 | P c a 21 | 12.5986; 8.2876; 20.2572 90; 90; 90 | 2115.1 | Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions Journal of Organic Chemistry, 2006, 71, 6397-6402 |
| 4022100 | CIF | C28 H26 N4 O6 S2 | P c a 21 | 18.185; 13.451; 11.78 90; 90; 90 | 2881.6 | Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds Journal of Organic Chemistry, 2006, 71, 9114-9127 |
| 4022114 | CIF | C17 H21 O5 P | P c a 21 | 25.252; 6.2471; 10.3606 90; 90; 90 | 1634.4 | Manab Chakravarty; K. C. Kumara Swamy Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins Journal of Organic Chemistry, 2006, 71, 9128-9138 |
| 4022635 | CIF | C27 H47 N O3 | P c a 21 | 11.4084; 13.9228; 18.075 90; 90; 90 | 2870.9 | Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene 1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives Journal of Organic Chemistry, 2007, 72, 485-493 |
| 4022671 | CIF | C8.5 H11 Cl N2 O2 | P c a 21 | 17.308; 7.7442; 7.4721 90; 90; 90 | 1001.5 | Nanyan Fu; Annette D. Allen; Shinjiro Kobayashi; Thomas T. Tidwell; Sinisa Vukovic; Selvananthan Arumugam; Vladimir V. Popik; Masaaki Mishima Amino Substituted Bisketenes: Generation, Structure, and Reactivity Journal of Organic Chemistry, 2007, 72, 1951-1956 |
| 4022906 | CIF | C266.67 H220 Cl40 I2.67 N5.33 O32 P10.67 | P c a 21 | 28.2853; 32.5755; 51.646 90; 90; 90 | 47587 | Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide Journal of Organic Chemistry, 2007, 72, 4528-4531 |
| 4022950 | CIF | C18 H15 Cl F2 O3 S | P c a 21 | 15.45; 10.49; 10.828 90; 90; 90 | 1755 | Jeremy P. Scott; David R. Lieberman; Olivier M. Beureux; Karel M. J. Brands; Antony J. Davies; Andrew W. Gibson; Deborah C. Hammond; Chris J. McWilliams; Gavin W. Stewart; Robert D. Wilson; Ulf-H. Dolling A Practical Synthesis of a γ-Secretase Inhibitor Journal of Organic Chemistry, 2007, 72, 4149-4155 |
| 4023391 | CIF | C18 H26 N2 O4 | P c a 21 | 22.6425; 6.5325; 23.7395 90; 90; 90 | 3511.4 | Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions Journal of Organic Chemistry, 2008, 73, 3318-3327 |
| 4023412 | CIF | C20 H18 N2 O5 S2 | P c a 21 | 8.0259; 10.5149; 46.432 90; 90; 90 | 3918.5 | Stéphane Dufresne; W. G. Skene Unsymmetric Pyrrole, Thiophene, and Furan-Conjugated Comonomers Prepared Using Azomethine Connections: Potential New Monomers for Alternating Homocoupled Products Journal of Organic Chemistry, 2008, 73, 3859-3866 |
| 4023625 | CIF | C27 H27 N O4 | P c a 21 | 10.9098; 21.5016; 10.3485 90; 90; 90 | 2427.5 | Jhillu S. Yadav; Basi V. Subba Reddy; Nagendra Nath Yadav; Manoj K. Gupta; Balasubramanian Sridhar Gold(III) Chloride-Catalyzed Three-Component Reaction: A Facile Synthesis of Alkynyl Derivatives of 1,2-Dihydroquinolines and Isoquinolines Journal of Organic Chemistry, 2008, 73, 6857-6859 |
| 4023820 | CIF | C8 H6 Br2 N2 S | P c a 21 | 10.577; 12.475; 7.715 90; 90; 90 | 1018 | Li Wen; Jon P. Nietfeld; Chad M. Amb; Seth C. Rasmussen Synthesis and Characterization of New 2,3-Disubstituted Thieno[3,4-b]pyrazines: Tunable Building Blocks for Low Band Gap Conjugated Materials Journal of Organic Chemistry, 2008, 73, 8529-8536 |
| 4023913 | CIF | C11 H10 N2 O2 | P c a 21 | 18.8943; 4.5121; 11.5662 90; 90; 90 | 986.05 | Zhan Zhang; Ji-Young Shin; David Dolphin Facile Synthesis of Unsubstituted β,β'-Linked Diformyldipyrromethanes Journal of Organic Chemistry, 2008, 73, 9515-9517 |
| 4024108 | CIF | C15 H13 N3 O | P c a 21 | 10.7003; 14.395; 8.1812 90; 90; 90 | 1260.2 | Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid Journal of Organic Chemistry, 2007, 72, 6372-6381 |
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