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 |
|---|---|---|---|---|---|---|
| 1554536 | CIF | C20 H15 Br2 N O2 | P c a 21 | 7.0667; 23.0878; 21.9663 90; 90; 90 | 3583.9 | Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines Organic Chemistry Frontiers, 2019, 6, 468 |
| 1554794 | CIF | C19 H24 N2 O | P c a 21 | 12.8993; 10.853; 11.6466 90; 90; 90 | 1630.5 | Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond. Organic letters, 2015, 17, 1200-1203 |
| 1554976 | CIF | C15 H13 N3 | P c a 21 | 12.9687; 13.0705; 7.18 90; 90; 90 | 1217.06 | Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons Organic Chemistry Frontiers, 2019, 6, 3071 |
| 1555056 | CIF | C21 H22 O11 | P c a 21 | 8.33914; 13.29606; 18.06836 90; 90; 90 | 2003.38 | Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui Canescones A–E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens Organic Chemistry Frontiers, 2019, 6, 3274 |
| 1555085 | CIF | C19 H12 Cl F9 O | P c a 21 | 11.543; 10.4; 32.618 90; 90; 90 | 3916 | He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers Organic Chemistry Frontiers, 2019, 6, 3575 |
| 1555105 | CIF | C8 H10 O4 | P c a 21 | 10.571; 5.838; 12.338 90; 90; 90 | 761.4 | Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks. Organic letters, 2015, 17, 3604-3607 |
| 1555320 | CIF | C21 H17 N | P c a 21 | 20.9818; 8.85852; 8.04013 90; 90; 90 | 1494.4 | Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions. Organic letters, 2015, 17, 4862-4865 |
| 1555425 | CIF | C39 H46 N2 Si2 | P c a 21 | 13.9869; 12.5966; 19.4789 90; 90; 90 | 3431.9 | Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases. Organic letters, 2015, 17, 6154-6157 |
| 1555578 | CIF | C24 H19 N0.25 O3 | P c a 21 | 20.6513; 5.9284; 14.7885 90; 90; 90 | 1810.5 | Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun [3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides. Organic letters, 2016, 18, 2738-2741 |
| 1555846 | CIF | C22 H22 O7 | P c a 21 | 15.8269; 5.82087; 20.8138 90; 90; 90 | 1917.5 | Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization. Organic letters, 2016, 18, 5170-5173 |
| 1556432 | CIF | C33 H26 N2 O3 | P c a 21 | 19.195; 8.503; 30.611 90; 90; 90 | 4996.2 | Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y. Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands Inorganics, 2019, 7, 109 |
| 1556437 | CIF | C22 H44 Co N4 Si4 | P c a 21 | 18.7674; 18.103; 17.593 90; 90; 90 | 5977.2 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
| 1556443 | CIF | C22 H44 N4 Si4 Zn | P c a 21 | 18.8806; 18.056; 17.6133 90; 90; 90 | 6004.5 | Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G. Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study Inorganics, 2019, 7, 117 |
| 1556664 | CIF | C24 H37 B4 Cr O4 W2 | P c a 21 | 23.323; 14.555; 17.009 90; 90; 90 | 5774 | Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S. Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond Inorganics, 2019, 7, 27 |
| 1556682 | CIF | C15 H33 B10 Cl Ge N2 | P c a 21 | 16.166; 11.279; 12.294 90; 90; 90 | 2241.6 | Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T. Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates Inorganics, 2019, 7, 41 |
| 1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1557057 | CIF | C22 H27 B O2 | P c a 21 | 25.447; 6.3811; 24.281 90; 90; 90 | 3942.7 | Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497 |
| 1557253 | CIF | C54 H99 Am Br3 O3 P3 | P c a 21 | 28.768; 11.456; 18.185 90; 90; 90 | 5993 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
| 1557254 | CIF | C54 H99 Br3 Nd O3 P3 | P c a 21 | 28.7058; 11.4228; 18.1359 90; 90; 90 | 5946.8 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
| 1557255 | CIF | C54 H99 Br3 Ce O3 P3 | P c a 21 | 28.92; 11.434; 18.209 90; 90; 90 | 6021.2 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
| 1557256 | CIF | C54 H99 Br3 La O3 P3 | P c a 21 | 28.879; 11.4223; 18.2083 90; 90; 90 | 6006.3 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
| 1557257 | CIF | C54 H99 Br3 O3 P3 Pr | P c a 21 | 28.7155; 11.4126; 18.1299 90; 90; 90 | 5941.5 | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes Chemical Science, 2020, 11, 2770-2782 |
| 1557400 | CIF | C22 H26 B Br O2 | P c a 21 | 20.7096; 6.4384; 15.5735 90; 90; 90 | 2076.52 | Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267 |
| 1557427 | CIF | C19 H33 Cl2 N O10 | P c a 21 | 17.5144; 22.5809; 11.9905 90; 90; 90 | 4742.13 | Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020 |
| 1557554 | CIF | C13 H8 N4 O9 | P c a 21 | 12.16; 8.519; 27.78 90; 90; 90 | 2877.8 | Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R. Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran Acta Chemica Scandinavica, 1996, 50, 587-595 |
| 1557852 | CIF | C13 H14 O6 S | P c a 21 | 18; 9.537; 7.754 90; 90; 90 | 1331.1 | Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp. Journal of natural products, 2020 |
| 1558441 | CIF | C11 H16 O3 S | P c a 21 | 11.942; 5.399; 17.503 90; 90; 90 | 1128.5 | Koskimies, Jorma; Uggla, Rolf; Sundberg, Markku R. A Sulfur-Stabilized Enol Acta Chemica Scandinavica, 1994, 48, 417-422 |
| 1558536 | CIF | C18 H16 O2 Te | P c a 21 | 18.4073; 13.2209; 6.2891 90; 90; 90 | 1530.5 | Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi Tellurophene-containing π-conjugated polymers with unique heteroatom–heteroatom interactions by post-element-transformation of an organotitanium polymer Polymer Chemistry, 2020, 11, 4693-4698 |
| 1558540 | CIF | C19 H21 Cl2 N Ru | P c a 21 | 7.1672; 13.7037; 17.9697 90; 90; 90 | 1764.93 | Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram One-pot dual catalysis for the hydrogenation of heteroarenes and arenes Catalysis Science & Technology, 2020, 10, 5163-5170 |
| 1558770 | CIF | C21 H28 B N | P c a 21 | 12.67; 11.135; 13.004 90; 90; 90 | 1834.6 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
| 1558778 | CIF | C28 H51 B Cl N P Rh | P c a 21 | 21.577; 8.0109; 34.845 90; 90; 90 | 6023 | Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020 |
| 1558877 | CIF | C212 H260 N20 O76 Zn8 | P c a 21 | 36.4926; 14.6058; 45.4204 90; 90; 90 | 24209.2 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
| 1558959 | CIF | C13 H24 B10 | P c a 21 | 18.2149; 8.1437; 12.0108 90; 90; 90 | 1781.64 | Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020 |
| 1559139 | CIF | C45 H50 Cu F3 N6 O2 | P c a 21 | 19.77529; 13.53091; 15.04125 90; 90; 90 | 4024.7 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
| 1559140 | CIF | C44 H50 Cu F3 N6 O3 S | P c a 21 | 20.1211; 13.39232; 15.13962 90; 90; 90 | 4079.65 | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020 |
| 1559270 | CIF | C54 H77.78 B2 Ir2 O2 P4 | P c a 21 | 18.4602; 18.1913; 16.0356 90; 90; 90 | 5385 | Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020 |
| 1559408 | CIF HKL | C12 H10 O6 | P c a 21 | 25.006; 5.0337; 8.5646 90; 90; 90 | 1078.05 | Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen (8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework IUCrData, 2020, 5, x201391 |
| 1559548 | CIF | C13 H15 Br F N O | P c a 21 | 16.2421; 5.0967; 30.102 90; 90; 90 | 2491.9 | Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T. Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation Organic Process Research & Development, 2020 |
| 1559711 | CIF | C17 H17 I O | P c a 21 | 13.569; 14.2212; 7.5004 90; 90; 90 | 1447.33 | BLANGETTI, Marco; O’SHEA, Donal F. Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality X-ray Structure Analysis Online, 2020, 36, 45-46 |
| 1559739 | CIF | C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 | P c a 21 | 18.079; 30.1771; 14.9963 90; 90; 90 | 8181.6 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
| 1559841 | CIF | B9 Dy7 K3 Li3 O27 | P c a 21 | 20.8225; 6.4118; 17.4976 90; 90; 90 | 2336.1 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
| 1559842 | CIF | B9 K3 Li3 O27 Tb7 | P c a 21 | 20.9218; 6.442; 17.5285 90; 90; 90 | 2362.46 | Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442 |
| 1560190 | CIF | C9 H11 N O3 | P c a 21 | 10.2859; 10.6455; 7.6374 90; 90; 90 | 836.28 | Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779 |
| 1560236 | CIF | C32 H43 Ba N6 O11 S2 | P c a 21 | 17.6827; 10.4422; 22.5408 90; 90; 90 | 4162.08 | Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J. Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand Chemical Science, 2021, 12, 3733-3742 |
| 1560249 | CIF | C38 H44 O P2 | P c a 21 | 11.3956; 15.6766; 18.1208 90; 90; 90 | 3237.18 | Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337 |
| 1560298 | CIF | C22 H21 B F2 N2 O2 | P c a 21 | 12.6493; 9.244; 18.0005 90; 90; 90 | 2104.8 | Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates Chemical Science, 2021, 12, 4503-4508 |
| 1560409 | CIF | B9 K3 Li3 O27 Y7 | P c a 21 | 20.7431; 6.3873; 17.4741 90; 90; 90 | 2315.19 | Bräuchle, Sebastian; Huppertz, Hubert Synthesis and structural characterization of Li3K3Y7(BO3)9 Journal of Solid State Chemistry, 2017, 253, 242-248 |
| 1560484 | CIF | H O5 Te V | P c a 21 | 11.0445; 7.008; 4.9633 90; 90; 90 | 384.16 | Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 ) Journal of Solid State Chemistry, 2017, 249, 21-26 |
| 1560486 | CIF | C26 H16 F4 N2 O2 | P c a 21 | 23.488; 13.488; 6.8185 90; 90; 90 | 2160.1 | Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya Fast T-Type Photochromic Crystals of Diarylbenzene The Journal of Physical Chemistry C, 2021 |
| 1560720 | CIF | C42 H48 N8 S6 | P c a 21 | 14.1011; 14.1412; 41.847 90; 90; 90 | 8344.6 | Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M. Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages Chemical Science, 2021, 12, 5315-5318 |
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