Search results

Formula: - Co H3 O4 P -
Comments: Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O European Journal of Solid State Inorganic Chemistry 26 (1989) 603-617
Space group: P c a 21
Cell volume: 721.2
Cell parameters: 8.984; 7.918; 10.139; 90; 90; 90;

COD ID: 1010203
CIF file	Formula: - F2 I K O2 - Comments: Helmholz, L; Rogers, M T The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~ Journal of the American Chemical Society 62 (1940) 1537-1542 Space group: P c a 21 Cell volume: 420.7 Cell parameters: 8.38; 5.97; 8.41; 90; 90; 90;

COD ID: 1011295
CIF file	Formula: - C H2 Na2 O4 - Comments: Harper, J P Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 266-273 Space group: P c a 21 Cell volume: 362 Cell parameters: 10.721; 5.243; 6.44; 90; 90; 90;

COD ID: 1100195
CIF file	Formula: - C24 H60 Cl4 Li2 Mo2 O17 - Comments: K.Harms; M.Marsch Private Communication (2000) Space group: P c a 21 Cell volume: 4316.5 Cell parameters: 20.449; 12.7631; 16.5388; 90; 90; 90;

COD ID: 1100393

Formula: - C25 H35 Cl7 N3 P3 Ti2 -
Comments: Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G. Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~] Zeitschrift fuer Anorganische und Allgemeine Chemie 620(10) (1994) 1741-1749
Space group: P c a 21
Cell volume: 3676.51
Cell parameters: 12.21; 14.075; 21.393; 90; 90; 90;

COD ID: 1100446

Formula: - C12 H30 Cl2 N2 P2 S -
Comments: Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K. Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~] Zeitschrift fuer Anorganische und Allgemeine Chemie 623(1-6) (1997) 962-966
Space group: P c a 21
Cell volume: 1903.15
Cell parameters: 12.99; 11.579; 12.653; 90; 90; 90;

COD ID: 1100454

Formula: - C9 H29 Cl2 N Sn3 -
Comments: Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U. Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br Zeitschrift fuer Anorganische und Allgemeine Chemie 623(1-6) (1997) 676-682
Space group: P c a 21
Cell volume: 2042.54
Cell parameters: 13.732; 7.622; 19.515; 90; 90; 90;

COD ID: 1100803
CIF file	Formula: - C13 H23 Cl N2 O Pd - Comments: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G. Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides Organometallics 24(10) (2005) 2516-2527 Space group: P c a 21 Cell volume: 1586.34 Cell parameters: 18.2636; 9.3501; 9.2895; 90; 90; 90;

COD ID: 1501673

Formula: - C16 H30 N4 O8 S8 -
Comments: Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B 115(12) (2011) 3020-3026
Space group: P c a 21
Cell volume: 2787
Cell parameters: 11.432; 24.09; 10.121; 90; 90; 90;

COD ID: 1501901
CIF file	Formula: - C42 H42 B N - Comments: Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane Organic Letters 13(2) (2011) 300-303 Space group: P c a 21 Cell volume: 3295.9 Cell parameters: 23.245; 11.539; 12.288; 90; 90; 90;

COD ID: 1502604

Formula: - C22 H23 N O4 S -
Comments: Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters. Organic letters 13(24) (2011) 6448-6451
Space group: P c a 21
Cell volume: 2085
Cell parameters: 15.819; 11.095; 11.877; 90; 90; 90;

COD ID: 1502701

Formula: - C3 H5 O2 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P c a 21
Cell volume: 1633.1
Cell parameters: 7.302; 10.636; 21.028; 90; 90; 90;

COD ID: 1502961

Formula: - C14 H20 Br2 Se2 Si2 -
Comments: Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R. Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes. Organic letters 12(9) (2010) 2136-2139
Space group: P c a 21
Cell volume: 4090.2
Cell parameters: 28.649; 7.6936; 18.557; 90; 90; 90;

COD ID: 1503035
CIF file	Formula: - C24 H40 O3 Si - Comments: Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J. A synthesis of the carbocyclic core of maoecrystal V. Organic letters 12(13) (2010) 3010-3013 Space group: P c a 21 Cell volume: 2254.9 Cell parameters: 20.0329; 6.5664; 17.1418; 90; 90; 90;

COD ID: 1503059
CIF file	Formula: - C26 H37 N O5 - Comments: Burke, Jason P.; Sabat, Michal; Iovan, Diana A.; Myers, William H.; Chruma, Jason J. Exploring the original proposed biosynthesis of (+)-symbioimine: remote exocyclic stereocontrol in a type I IMDA reaction. Organic letters 12(14) (2010) 3192-3195 Space group: P c a 21 Cell volume: 4851.1 Cell parameters: 16.5169; 5.7641; 50.954; 90; 90; 90;

COD ID: 1503137
CIF file	Formula: - C13 H14 O4 - Comments: Cordes, Jens; Harms, Klaus; Koert, Ulrich Synthesis of the isoquinocycline-pyrrolopyrrole substructure. Organic letters 12(17) (2010) 3808-3811 Space group: P c a 21 Cell volume: 1100.41 Cell parameters: 11.0204; 8.2388; 12.1197; 90; 90; 90;

COD ID: 1503343

Formula: - C10 H8 F3 N O4 -
Comments: Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J. Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid. Organic letters 12(1) (2010) 128-131
Space group: P c a 21
Cell volume: 1090.6
Cell parameters: 18.015; 8.9617; 6.7552; 90; 90; 90;

COD ID: 1503493

Formula: - C21 H21 N O4 -
Comments: Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives. Organic letters 14(2) (2012) 448-451
Space group: P c a 21
Cell volume: 1820.8
Cell parameters: 11.8807; 19.0098; 8.062; 90; 90; 90;

COD ID: 1503561
CIF file	Formula: - C13 H14 N2 O2 - Comments: Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K. Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction. Organic letters 14(2) (2012) 548-551 Space group: P c a 21 Cell volume: 2442.3 Cell parameters: 16.7103; 11.6052; 12.5938; 90; 90; 90;

COD ID: 1503649

Formula: - C22 H17 N O S -
Comments: Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine Journal of Combinatorial Chemistry 11(3) (2009) 433
Space group: P c a 21
Cell volume: 1660.39
Cell parameters: 28.2746; 7.6602; 7.6661; 90; 90; 90;

COD ID: 1503662

Formula: - C14 H13 N O3 S2 -
Comments: Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M. Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor. Journal of medicinal chemistry 52(4) (2009) 1063-1074
Space group: P c a 21
Cell volume: 2777
Cell parameters: 13.516; 9.108; 22.558; 90; 90; 90;

COD ID: 1503897

Formula: - C11 H18 N4 O2 -
Comments: Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A. Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings. Organic letters 11(11) (2009) 2257-2260
Space group: P c a 21
Cell volume: 1154.43
Cell parameters: 9.7231; 9.0749; 13.0834; 90; 90; 90;

COD ID: 1503906
CIF file	Formula: - C28 H30 O4 - Comments: Mitasev, Branko; Porco, Jr, John A Manganese(III)-mediated transformations of phloroglucinols: a formal oxidative [4 + 2] cycloaddition leading to bicyclo[2.2.2]octadiones. Organic letters 11(11) (2009) 2285-2288 Space group: P c a 21 Cell volume: 2163.2 Cell parameters: 24.138; 8.8059; 10.177; 90; 90; 90;

COD ID: 1503974
CIF file	Formula: - C20 H22 O5 - Comments: Majetich, George; Grove, Jeremy L. Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone. Organic letters 11(13) (2009) 2904-2907 Space group: P c a 21 Cell volume: 1669.4 Cell parameters: 12.306; 12.827; 10.576; 90; 90; 90;

COD ID: 1504040
CIF file	Formula: - C14 H11 I - Comments: Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes. Organic letters 11(15) (2009) 3390-3393 Space group: P c a 21 Cell volume: 2379.9 Cell parameters: 26.395; 12.0508; 7.482; 90; 90; 90;

COD ID: 1504479
CIF file	Formula: - C24 H27 N O4 - Comments: Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade. Organic letters 10(2) (2008) 197-199 Space group: P c a 21 Cell volume: 2002.5 Cell parameters: 11.147; 18.976; 9.467; 90; 90; 90;

COD ID: 1505089
CIF file	Formula: - C7 H13 I N2 O - Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108 Space group: P c a 21 Cell volume: 4114.2 Cell parameters: 15.2411; 8.2598; 32.681; 90; 90; 90;

COD ID: 1505271

Formula: - C48 H60 O8 S4 -
Comments: Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination. Organic letters 9(3) (2007) 493-496
Space group: P c a 21
Cell volume: 4698.3
Cell parameters: 18.5095; 11.1086; 22.85; 90; 90; 90;

COD ID: 1506234
CIF file	Formula: - C13 H16 O2 - Comments: Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R. Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy. Organic letters 8(20) (2006) 4649-4652 Space group: P c a 21 Cell volume: 1172.64 Cell parameters: 11.2356; 5.4389; 19.1892; 90; 90; 90;

COD ID: 1506335
CIF file	Formula: - C7 H15 Cu N O6 - Comments: Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G. Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions Biomacromolecules 6(1) (2005) 189 Space group: P c a 21 Cell volume: 2093.3 Cell parameters: 19.837; 7.084; 14.896; 90; 90; 90;

COD ID: 1506370
CIF file	Formula: - C37 H49 N6 O9 - Comments: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Exchange interaction in covalently bonded biradical-monoradical composite molecules. The journal of physical chemistry. B 109(8) (2005) 3303-3309 Space group: P c a 21 Cell volume: 3881 Cell parameters: 14.77; 20.689; 12.699; 90; 90; 90;

COD ID: 1506496
CIF file	Formula: - C26 H16 N4 O12 - Comments: Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R. Synthesis of functionalized oxacalix[4]arenes. Organic letters 7(1) (2005) 91-94 Space group: P c a 21 Cell volume: 2512 Cell parameters: 12.3501; 18.786; 10.827; 90; 90; 90;

COD ID: 1506524
CIF file	Formula: - C20 H15 N3 O - Comments: Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters 7(8) (2005) 1461-1464 Space group: P c a 21 Cell volume: 1488.1 Cell parameters: 15.686; 12.04; 7.8796; 90; 90; 90;

COD ID: 1506666
CIF file	Formula: - C7 H7 F2 I - Comments: Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M. Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor. Organic letters 7(18) (2005) 3961-3964 Space group: P c a 21 Cell volume: 1509.54 Cell parameters: 17.946; 11.4823; 7.3257; 90; 90; 90;

COD ID: 1506681

Formula: - C88 H76 Cl12 N6 O6 -
Comments: Tominaga, Masahide; Masu, Hyuma; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao Triple helicate constructed by covalent bondings: crystal structure and effective synthesis based on propeller-like substructures. Organic letters 7(17) (2005) 3785-3787
Space group: P c a 21
Cell volume: 8398
Cell parameters: 33.749; 12.982; 19.167; 90; 90; 90;

COD ID: 1506741

Formula: - C18 H26 Cl2 N2 O2 -
Comments: Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers. Organic letters 7(24) (2005) 5413-5415
Space group: P c a 21
Cell volume: 1975.9
Cell parameters: 14.174; 11.5857; 12.0325; 90; 90; 90;

COD ID: 1506809

Formula: - C18 H19 N4 O2 -
Comments: Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond. The journal of physical chemistry. B 108(20) (2004) 6144-6151
Space group: P c a 21
Cell volume: 1697.6
Cell parameters: 13.515; 11.858; 10.593; 90; 90; 90;

COD ID: 1507057
CIF file	Formula: - C7 H8 O S2 - Comments: Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide. Organic letters 6(15) (2004) 2623-2626 Space group: P c a 21 Cell volume: 754.52 Cell parameters: 11.134; 6.498; 10.429; 90; 90; 90;

COD ID: 1507058
CIF file	Formula: - C7 H8 O2 S2 - Comments: Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide. Organic letters 6(15) (2004) 2623-2626 Space group: P c a 21 Cell volume: 1585.9 Cell parameters: 19.794; 6.216; 12.889; 90; 90; 90;

COD ID: 1507788
CIF file	Formula: - C10 H15 N3 O5 Pt - Comments: Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry 55(11) (2012) 5326-5336 Space group: P c a 21 Cell volume: 1291.6 Cell parameters: 9.4898; 15.218; 8.9436; 90; 90; 90;

COD ID: 1507848
CIF file	Formula: - C17 H15 Br O4 - Comments: Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols. Organic letters 14(13) (2012) 3324-3327 Space group: P c a 21 Cell volume: 1525.4 Cell parameters: 10.86; 17.451; 8.049; 90; 90; 90;

COD ID: 1507879
CIF file	Formula: - C27 H21 N S3 - Comments: Sathyamoorthi, Shyam; Mague, Joel T.; Pascal, Jr, Robert A An in-triphenylaminophane. Organic letters 14(13) (2012) 3427-3429 Space group: P c a 21 Cell volume: 4409.3 Cell parameters: 15.2379; 14.5654; 19.8667; 90; 90; 90;

COD ID: 1508023

Formula: - C81 H84 F24 N17 O P4 V2 -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: P c a 21
Cell volume: 8889.8
Cell parameters: 23.4395; 21.7426; 17.4435; 90; 90; 90;

COD ID: 1508241
CIF file	Formula: - C76 H107 B O4 U2 - Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674 Space group: P c a 21 Cell volume: 6742.22 Cell parameters: 24.882; 10.719; 25.2792; 90; 90; 90;

COD ID: 1508330
CIF file	Formula: - C14 H18 O4 - Comments: Han, Xun; Floreancig, Paul E. Synthesis of bridged inside-outside bicyclic ethers through oxidative transannular cyclization reactions. Organic letters 14(14) (2012) 3808-3811 Space group: P c a 21 Cell volume: 2651 Cell parameters: 15.563; 5.224; 32.605; 90; 90; 90;

COD ID: 1508341
CIF file	Formula: - C22 H27 N7 O7 - Comments: Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A. 4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior. Organic letters 14(16) (2012) 4134-4137 Space group: P c a 21 Cell volume: 4684.2 Cell parameters: 20.6019; 7.0886; 32.075; 90; 90; 90;

COD ID: 1508519

Formula: - C25 H26 Fe N2 O2 -
Comments: Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry 55(20) (2012) 8790-8798
Space group: P c a 21
Cell volume: 4105
Cell parameters: 19.7267; 5.7377; 36.268; 90; 90; 90;

COD ID: 1508637
CIF file	Formula: - C18 H17 I O3 - Comments: Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination. Organic letters 14(18) (2012) 4806-4809 Space group: P c a 21 Cell volume: 1565.04 Cell parameters: 14.2621; 16.5312; 6.638; 90; 90; 90;

COD ID: 1508667
CIF file	Formula: - C92.25 H46 - Comments: Yanney, Michael; Fronczek, Frank R.; Sygula, Andrzej Corannulene subunit acts as a diene in a cycloaddition reaction: synthesis of C80H32 corannulyne tetramer. Organic letters 14(18) (2012) 4942-4945 Space group: P c a 21 Cell volume: 5419.7 Cell parameters: 15.7767; 14.3048; 24.0147; 90; 90; 90;

COD ID: 1508736
CIF file	Formula: - C18 H18 N2 O2 - Comments: Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars. Organic letters 14(22) (2012) 5652-5655 Space group: P c a 21 Cell volume: 1472.97 Cell parameters: 15.3122; 15.6051; 6.1644; 90; 90; 90;

COD ID: 1508819
CIF file	Formula: - C15 H19 Cl N4 O4 - Comments: Ye, Zhenjun; Shi, Lina; Shao, Xusheng; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong Pyrrole- and dihydropyrrole-fused neonicotinoids: design, synthesis, and insecticidal evaluation. Journal of agricultural and food chemistry 61(2) (2013) 312-319 Space group: P c a 21 Cell volume: 3219.8 Cell parameters: 11.6146; 7.7855; 35.607; 90; 90; 90;

COD ID: 1509199
CIF file	Formula: - Ag As O3 - Comments: Jansen, M.; Curda, J.; Peters, E.M. Ein Metaarsenat(V) Anion neuartiger Konstitution in Ag As O3 Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 491-494 Space group: P c a 21 Cell volume: 1628.47 Cell parameters: 19.488; 6.6; 12.661; 90; 90; 90;

COD ID: 1510695
CIF file	Formula: - B2 Ba2 O6 Zn - Comments: Smith, R.W.; Koliha, L.J. A new noncentrosymmetric orthoborate (Ba2 Zn (B O3)2) Materials Research Bulletin 29 (1994) 1203-1210 Space group: P c a 21 Cell volume: 1330.75 Cell parameters: 15.068; 8.72; 10.128; 90; 90; 90;

COD ID: 1510892
CIF file	Formula: - B3 Ce O6 - Comments: Huppertz, H.; Despotopoulou, C.; Emme, H. High-pressure synthesis and crystal structure of structurally new orthorhombic rare-earth meta-oxoborates gamma-RE (B O2)3 (RE= La - Nd) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2450-2457 Space group: P c a 21 Cell volume: 354.16 Cell parameters: 18.457; 4.4675; 4.2951; 90; 90; 90;

COD ID: 1511655
CIF file	Formula: - B7 Br Ni3 O13 - Comments: Svensson, C.; Abrahams, S.C.; Bernstein, J.L. Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure Journal of Chemical Physics 75 (1981) 1912-1918 Space group: P c a 21 Cell volume: 873.482 Cell parameters: 8.5218; 8.5127; 12.0408; 90; 90; 90;

COD ID: 1511658
CIF file	Formula: - B7 Cl Cr3 O13 - Comments: Schmid, H.; Mao, S.Y.; Kubel, F.; Yvon, K. Powder and single-crystal X-ray study of chromium chlorine boracite, Cr3 B7 O13 Cl, at low temperature. Powder refinement of the orthorhombic modification at 100K Ferroelectrics 132 (1992) 239-244 Space group: P c a 21 Cell volume: 895.88 Cell parameters: 8.5647; 8.6125; 12.1453; 90; 90; 90;

COD ID: 1511665
CIF file	Formula: - B7 Co3 I O13 - Comments: Clin, M.; Fischer, P.; Schmid, H.; Schobinger, P. Magnetic phase transition in cobalt iodine boracite Phase Transition 33 (1991) 149-157 Space group: P c a 21 Cell volume: 893.4 Cell parameters: 8.6012; 8.5695; 12.1208; 90; 90; 90;

COD ID: 1511676

Formula: - B7 I Mn3 O13 -
Comments: Ritter, C.; Schobinger-Papamantellos, P.; Schmid, H.; Crottaz, O.; Suard, E.; Gentil, S.; Rivera, J.P. Magnetic ordering of Mn3 B7 O13 X (X = Cl, Br, I) boracites determined by magnetic measurements and neutron diffraction Ferroelectrics 204 (1997) 45-55
Space group: P c a 21
Cell volume: 940.299
Cell parameters: 8.7603; 8.6936; 12.3466; 90; 90; 90;

COD ID: 1511780

Formula: - C8 H4 D K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 825.9
Cell parameters: 9.598; 13.32; 6.4599; 90; 90; 90;

COD ID: 1511781

Formula: - C8 H4 D K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 831.42
Cell parameters: 9.6164; 13.3282; 6.4869; 90; 90; 90;

COD ID: 1511782

Formula: - C8 H5 K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 825.01
Cell parameters: 9.5955; 13.2964; 6.4663; 90; 90; 90;

COD ID: 1511783

Formula: - C8 H5 K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 831.47
Cell parameters: 9.6172; 13.3264; 6.4876; 90; 90; 90;

COD ID: 1511795

Formula: - C14 H8 O2 S3 -
Comments: Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C 117(12) (2013) 6022
Space group: P c a 21
Cell volume: 1258.31
Cell parameters: 27.724; 3.8968; 11.6473; 90; 90; 90;

COD ID: 1512105
CIF file	Formula: - C24 H27 N O4 S - Comments: Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates. Organic letters 15(11) (2013) 2814-2817 Space group: P c a 21 Cell volume: 2126.2 Cell parameters: 11.3759; 11.6984; 15.9768; 90; 90; 90;

COD ID: 1512458
CIF file	Formula: - C26 H30 Au2 F6 N2 O6 P2 S2 - Comments: Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes Inorganica Chimica Acta 392 (2012) 91-98 Space group: P c a 21 Cell volume: 3584.9 Cell parameters: 12.948; 16.785; 16.495; 90; 90; 90;

COD ID: 1512596
CIF file	Formula: - C11 H14 Br2 O Te - Comments: Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R. Visible-light-promoted selenofunctionalization of alkenes. Organic letters 15(21) (2013) 5558-5561 Space group: P c a 21 Cell volume: 1345.1 Cell parameters: 11.1874; 14.775; 8.1374; 90; 90; 90;

COD ID: 1512706

Formula: - C13 H19 Cl2 N Pd Se -
Comments: Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction Inorganica Chimica Acta 393 (2012) 77-84
Space group: P c a 21
Cell volume: 1545.5
Cell parameters: 7.949; 19.348; 10.049; 90; 90; 90;

COD ID: 1513038
CIF file	Formula: - C32 H75 Cl16 N8 O8 Zn4 - Comments: Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexesexperimental vs. theoretical study Polyhedron 30 (2011) 2564 Space group: P c a 21 Cell volume: 2927.6 Cell parameters: 22.703; 6.9191; 18.637; 90; 90; 90;

COD ID: 1513061
CIF file	Formula: - C10 H22 N3 O3 - Comments: 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 76 (2013) 415 Space group: P c a 21 Cell volume: 1267.7 Cell parameters: 10.9481; 14.463; 8.0063; 90; 90; 90;

COD ID: 1513075
CIF file	Formula: - C14 H23 N4 O6 - Comments: Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure 1016 (2012) 47 Space group: P c a 21 Cell volume: 1577.9 Cell parameters: 10.466; 18.241; 8.265; 90; 90; 90;

COD ID: 1513133

Formula: - C15 H14 S2 -
Comments: Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters 15(23) (2013) 5970
Space group: P c a 21
Cell volume: 2604.56
Cell parameters: 7.5615; 21.1348; 16.2978; 90; 90; 90;

COD ID: 1513248
CIF file	Formula: - C12 H12 N2 O - Comments: Markey, Sophie J.; Lewis, William; Moody, Christopher J. A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes. Organic letters 15(24) (2013) 6306-6308 Space group: P c a 21 Cell volume: 1034.5 Cell parameters: 14.893; 8.972; 7.742; 90; 90; 90;

COD ID: 1513736

Formula: - C11 H12 F6 Li N O13 S2 -
Comments: McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A. Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms Energy & Environmental Science 7(1) (2014) 416
Space group: P c a 21
Cell volume: 1966.6
Cell parameters: 8.729; 14.045; 16.041; 90; 90; 90;

COD ID: 1513790
CIF file	Formula: - C17 H16 F6 N3 P Ru - Comments: Li, Le; Herzon, Seth B. Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes. Nature chemistry 6(1) (2014) 22-27 Space group: P c a 21 Cell volume: 1913.23 Cell parameters: 11.1674; 10.4372; 16.4146; 90; 90; 90;

COD ID: 1513796
CIF file	Formula: - C21 H29 F5 Si3 - Comments: Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units. Nature communications 5 (2014) 3018 Space group: P c a 21 Cell volume: 4751.1 Cell parameters: 19.1914; 10.6017; 23.3513; 90; 90; 90;

COD ID: 1514404
CIF file	Formula: - C14 H9 F6 N - Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798 Space group: P c a 21 Cell volume: 1273.89 Cell parameters: 10.0174; 15.9406; 7.9776; 90; 90; 90;

COD ID: 1514453
CIF file	Formula: - C29 H30 O3 Si - Comments: Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science 4(4) (2013) 1547 Space group: P c a 21 Cell volume: 2556.34 Cell parameters: 25.2196; 11.8584; 8.5478; 90; 90; 90;

COD ID: 1514728

Formula: - C34 H30 Au O4 P S2 -
Comments: Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science 4(11) (2013) 4267
Space group: P c a 21
Cell volume: 6135.7
Cell parameters: 23.574; 11.1504; 23.342; 90; 90; 90;

COD ID: 1514860

Formula: - C19 H16 Au Cl N2 -
Comments: Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights. Metallomics : integrated biometal science 5(8) (2013) 1006-1015
Space group: P c a 21
Cell volume: 1639.03
Cell parameters: 12.8493; 6.2192; 20.5103; 90; 90; 90;

COD ID: 1515158
CIF file	Formula: - C12 H8 O3 - Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133 Space group: P c a 21 Cell volume: 933.88 Cell parameters: 24.2219; 5.1953; 7.4212; 90; 90; 90;

COD ID: 1515284
CIF file	Formula: - B H12 Li N4 - Comments: He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science 5(2) (2012) 5686 Space group: P c a 21 Cell volume: 598.43 Cell parameters: 12.0187; 6.49642; 7.6645; 90; 90; 90;

COD ID: 1515367

Formula: - C13 H19 F N2 S -
Comments: Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science 4(8) (2013) 3036
Space group: P c a 21
Cell volume: 2677
Cell parameters: 17.405; 8.732; 17.612; 90; 90; 90;

COD ID: 1515449
CIF file	Formula: - C18 H21 N O2 - Comments: Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L. Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes Chemical Science 2(4) (2011) 633 Space group: P c a 21 Cell volume: 3095.7 Cell parameters: 11.93; 8.5702; 30.278; 90; 90; 90;

COD ID: 1515813
CIF file	Formula: - C29 H34 Cl2 F6 N2 O6 Pd2 - Comments: Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science 1(3) (2010) 331 Space group: P c a 21 Cell volume: 6918.6 Cell parameters: 33.636; 11.4193; 18.0125; 90; 90; 90;

COD ID: 1515821
CIF file	Formula: - C15 H24 Cl2 Cu N3 - Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326 Space group: P c a 21 Cell volume: 1728 Cell parameters: 11.892; 15.074; 9.64; 90; 90; 90;

COD ID: 1515822
CIF file	Formula: - C15 H24 Br2 Cu N3 - Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326 Space group: P c a 21 Cell volume: 1830.5 Cell parameters: 12.3103; 15.3429; 9.6916; 90; 90; 90;

COD ID: 1515824
CIF file	Formula: - C14 H24 Cl2 Cu N3 O - Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326 Space group: P c a 21 Cell volume: 1725.3 Cell parameters: 12.47; 15.254; 9.07; 90; 90; 90;

COD ID: 1515980
CIF file	Formula: - C36 H44 N4 O4 - Comments: Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D. Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles. Organic letters 16(10) (2014) 2764-2767 Space group: P c a 21 Cell volume: 3199 Cell parameters: 25.739; 9.667; 12.857; 90; 90; 90;

COD ID: 1515990
CIF file	Formula: - C27 H27 N3 O3 - Comments: Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas Small Head-to-Tail Macrocyclic α-Peptoids. Organic letters 16(10) (2014) 2780-2783 Space group: P c a 21 Cell volume: 4455 Cell parameters: 17.384; 9.096; 28.177; 90; 90; 90;

COD ID: 1516133
CIF file	Formula: - C20 H4 Br4 Cl4 - Comments: Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus Toward perylene dyes by the hundsdiecker reaction. Organic letters 16(11) (2014) 2814-2817 Space group: P c a 21 Cell volume: 3888.9 Cell parameters: 7.4442; 27.2175; 19.194; 90; 90; 90;

COD ID: 1516374

Formula: - C22 H32 N4 O6 -
Comments: Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A 113(42) (2009) 11354-11366
Space group: P c a 21
Cell volume: 2394.8
Cell parameters: 7.6093; 18.2086; 17.2841; 90; 90; 90;

COD ID: 1516637
CIF file	Formula: - C5 H5 Br2 N - Comments: Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A 111(12) (2007) 2319-2328 Space group: P c a 21 Cell volume: 706.16 Cell parameters: 14.273; 4.6009; 10.7534; 90; 90; 90;

COD ID: 1516638
CIF file	Formula: - C5 H5 Br Cl N - Comments: Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A 111(12) (2007) 2319-2328 Space group: P c a 21 Cell volume: 670.5 Cell parameters: 14.274; 4.4396; 10.581; 90; 90; 90;

COD ID: 1516639
CIF file	Formula: - C5 H5 Br I N - Comments: Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan The nature of halogen...halide synthons: theoretical and crystallographic studies. The journal of physical chemistry. A 111(12) (2007) 2319-2328 Space group: P c a 21 Cell volume: 756.02 Cell parameters: 14.2891; 4.8298; 10.9546; 90; 90; 90;

COD ID: 1516673
CIF file	Formula: - C18 H8 O2 S - Comments: Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science 5(9) (2014) 3627 Space group: P c a 21 Cell volume: 1255.3 Cell parameters: 15.913; 11.398; 6.921; 90; 90; 90;

COD ID: 1516814

Formula: - C18 H16 N2 O3 -
Comments: Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science 5(9) (2014) 3651
Space group: P c a 21
Cell volume: 1570.2
Cell parameters: 28.94; 5.9109; 9.179; 90; 90; 90;

COD ID: 1516893
CIF file	Formula: - C58 H86 O3 Si4 U2 - Comments: Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes Chemical Science 5(10) (2014) 3777 Space group: P c a 21 Cell volume: 10997.7 Cell parameters: 43.8503; 10.3313; 24.2758; 90; 90; 90;

COD ID: 1516941
CIF file	Formula: - C113 H116 Cu9 N28 O21 - Comments: Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties Inorganica Chimica Acta 400 (2013) 179-183 Space group: P c a 21 Cell volume: 11822 Cell parameters: 33.552; 11.631; 30.295; 90; 90; 90;

COD ID: 1516962
CIF file	Formula: - C11 H19 N Ni O8 - Comments: Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization Inorganica Chimica Acta 400 (2013) 122-129 Space group: P c a 21 Cell volume: 1417.2 Cell parameters: 11.3509; 16.7012; 7.4757; 90; 90; 90;

COD ID: 1517041

Formula: - C16 H22 N4 O5 Zn -
Comments: Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane Inorganica Chimica Acta 402 (2013) 25-32
Space group: P c a 21
Cell volume: 1916.3
Cell parameters: 15.91; 8.949; 13.459; 90; 90; 90;

COD ID: 1517180
CIF file	Formula: - C12 H8 O S - Comments: Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air RSC Adv. 4(63) (2014) 33164-33167 Space group: P c a 21 Cell volume: 1882 Cell parameters: 14.959; 4.722; 26.639; 90; 90; 90;

COD ID: 1517253

Formula: - C29 H33 N3 O2 -
Comments: Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles. Organic letters 16(16) (2014) 4126-4129
Space group: P c a 21
Cell volume: 2544.51
Cell parameters: 25.7585; 10.3249; 9.5675; 90; 90; 90;

COD ID: 1517874

Formula: - C13 H21 Fe P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P c a 21
Cell volume: 1746.1
Cell parameters: 18.7588; 6.5778; 14.1509; 90; 90; 90;

COD ID: 1517921
CIF file	Formula: - C8 H14 B N O - Comments: Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene. Organic letters 16(19) (2014) 5024-5027 Space group: P c a 21 Cell volume: 1663.9 Cell parameters: 12.816; 7.3282; 17.716; 90; 90; 90;

COD ID: 1518010
CIF file	Formula: - C27 H20 O7 - Comments: Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua New Cytotoxic Naphthohydroquinone Dimers from Rubia alata. Organic letters 16(21) (2014) 5576-5579 Space group: P c a 21 Cell volume: 4369.24 Cell parameters: 16.9537; 8.6396; 29.8296; 90; 90; 90;

COD ID: 1518019

Formula: - C36 H66 Al Cl5 P2 Pb Pt -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P c a 21
Cell volume: 8685.7
Cell parameters: 25.2527; 13.9068; 24.7327; 90; 90; 90;

COD ID: 1518138

Formula: - C22 H22 N2 O3 -
Comments: Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles. Organic letters 16(21) (2014) 5752-5755
Space group: P c a 21
Cell volume: 1763
Cell parameters: 15.4467; 16.2308; 7.0318; 90; 90; 90;

COD ID: 1518218
CIF file	Formula: - C20.62 H17.23 Au Cl1.23 N O - Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981 Space group: P c a 21 Cell volume: 1796.79 Cell parameters: 22.3204; 11.4097; 7.0554; 90; 90; 90;

COD ID: 1518462
CIF file	Formula: - C21 H21 Br N2 O3 S - Comments: Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles. Organic letters 17(1) (2015) 86-89 Space group: P c a 21 Cell volume: 2005.97 Cell parameters: 24.0183; 11.2598; 7.4174; 90; 90; 90;

COD ID: 1518494
CIF file	Formula: - C18 H20 N2 O2 S - Comments: Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. Organic letters 17(2) (2015) 254-257 Space group: P c a 21 Cell volume: 3253.32 Cell parameters: 12.7796; 13.8018; 18.4448; 90; 90; 90;

COD ID: 1518564
CIF file	Formula: - C21 H14 Br N - Comments: Dibble, David J.; Umerani, Mehran J.; Mazaheripour, Amir; Park, Young S.; Ziller, Joseph W.; Gorodetsky, Alon A. An Aza-Diels‒Alder Route to Polyquinolines Macromolecules 48(3) (2015) 557 Space group: P c a 21 Cell volume: 1561.3 Cell parameters: 7.6677; 10.2755; 19.816; 90; 90; 90;

COD ID: 1518733

Formula: - C20 H22 O7 -
Comments: Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015. Journal of natural products 78(3) (2015) 363-367
Space group: P c a 21
Cell volume: 1845.47
Cell parameters: 28.5983; 8.3343; 7.7428; 90; 90; 90;

COD ID: 1518841

Formula: - C28 H33 F3 N3 O3 P S Zr -
Comments: Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals Organometallics 34(6) (2015) 1118
Space group: P c a 21
Cell volume: 5909.53
Cell parameters: 17.6285; 10.81736; 30.9896; 90; 90; 90;

COD ID: 1518847

Formula: - C24 H54 Cl2 Cu2 N6 O11 -
Comments: Neil F. Curtis; Kelly Flood; Ward T. Robinson An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime) Inorganica Chimica Acta 424 (2015) 173-175
Space group: P c a 21
Cell volume: 3604.8
Cell parameters: 13.2773; 19.3218; 14.0515; 90; 90; 90;

COD ID: 1518990

Formula: - C17 H17 O P Si -
Comments: Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings. Organic letters 17(7) (2015) 1732-1734
Space group: P c a 21
Cell volume: 1569.67
Cell parameters: 14.4427; 6.5207; 16.6673; 90; 90; 90;

COD ID: 1519309
CIF file	Formula: - C16 H14 O7 - Comments: Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B. C16H14O7 Crystal Structure Report Archive (2001) 727 Space group: P c a 21 Cell volume: 1396.06 Cell parameters: 16.4355; 13.0381; 6.5149; 90; 90; 90;

COD ID: 1519460
CIF file	Formula: - C22 H28 N2 O2 - Comments: Wood, Mark E.; Coles, Simon J.; Hursthouse, Michael B. C11H14NO Crystal Structure Report Archive (2002) 896 Space group: P c a 21 Cell volume: 1932.85 Cell parameters: 17.1687; 6.0927; 18.4778; 90; 90; 90;

COD ID: 1519530
CIF file	Formula: - C38 H40 O4 - Comments: Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B. C38H40O4 Crystal Structure Report Archive (2003) 1008 Space group: P c a 21 Cell volume: 3163.8 Cell parameters: 35.283; 8.364; 10.721; 90; 90; 90;

COD ID: 1519675
CIF file	Formula: - C4 H4 I N O - Comments: Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm 17(24) (2015) 4486 Space group: P c a 21 Cell volume: 602.07 Cell parameters: 16.1674; 4.1334; 9.0094; 90; 90; 90;

COD ID: 1519886
CIF file	Formula: - C7 H10 Cl N - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. 2-Methylaniliniumchloride Crystal Structure Report Archive (2008) 696 Space group: P c a 21 Cell volume: 729.03 Cell parameters: 15.6207; 5.3929; 8.6541; 90; 90; 90;

COD ID: 1520293
CIF file	Formula: - C5 H5 Br2 N - Comments: Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A 119(18) (2015) 4108-4117 Space group: P c a 21 Cell volume: 706.45 Cell parameters: 14.2564; 4.6063; 10.7577; 90; 90; 90;

COD ID: 1520342
CIF file	Formula: - C10 H14 O3 S2 - Comments: Coles, Simon J.; Hursthouse, Michael B.; Lamond, Steven J. C10H14O3S2 Crystal Structure Report Archive (2009) 822 Space group: P c a 21 Cell volume: 2212.9 Cell parameters: 11.738; 12.134; 15.537; 90; 90; 90;

COD ID: 1520446
CIF file	Formula: - C16 H15 N O2 S2 - Comments: Siva Reddy, Alla; Kumara Swamy, K. C. Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams. Organic letters 17(12) (2015) 2996-2999 Space group: P c a 21 Cell volume: 2991.8 Cell parameters: 18.773; 7.8448; 20.3148; 90; 90; 90;

COD ID: 1520705
CIF file	Formula: - C22 H22 N2 O3 - Comments: Dörr, Aurélie A; Lubell, William D. γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate. Organic letters 17(14) (2015) 3592-3595 Space group: P c a 21 Cell volume: 3777.48 Cell parameters: 17.651; 15.5231; 13.7865; 90; 90; 90;

COD ID: 1521066
CIF file	Formula: - As Be H3 O5 - Comments: Gier, T.E.; Stucky, G.D.; Bu Xianhui; Harrison, W.T.A. Tetrahedral networks containing beryllium: syntheses and structures of Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O) Journal of Solid State Chemistry 146 (1999) 394-398 Space group: P c a 21 Cell volume: 391.927 Cell parameters: 9.7471; 4.6794; 8.5929; 90; 90; 90;

COD ID: 1521168
CIF file	Formula: - O9 P2 V2 - Comments: Hiroi, Z.; Ikeda, T.; Azuma, M.; Saito, T.; Takano, M.; Fujishiro, Y.; Izumi, F.; Kamiyama, T. Structural study of the quantum-spin chain compound (V O)2 P2 O7 Journal of Solid State Chemistry 146 (1999) 369-379 Space group: P c a 21 Cell volume: 1230.69 Cell parameters: 7.73808; 9.58698; 16.58949; 90; 90; 90;

COD ID: 1524121
CIF file	Formula: - F2 H8 O4 Zn - Comments: Bukvetskii, B.V.; Polishchuk, S.A.; Simonov, V.I. Crystal structure of zinc fluoride tetrahydrate, Zn F2 (H2 O)4 Kristallografiya 18 (1973) 956-960 Space group: P c a 21 Cell volume: 503.577 Cell parameters: 12.63; 5.288; 7.54; 90; 90; 90;

COD ID: 1524748
CIF file	Formula: - Cl K3 O S3 W - Comments: Krebs, B.; Buss, B.; Ferwahnah, A. Die Kristallstruktur von Kalium-trithiowolframat-chlorid K3 (W O S3) Cl Zeitschrift fuer Anorganische und Allgemeine Chemie 387 (1972) 142-153 Space group: P c a 21 Cell volume: 977.392 Cell parameters: 12.507; 6.317; 12.371; 90; 90; 90;

COD ID: 1525806
CIF file	Formula: - Be F4 H4 Li N - Comments: Chung, S.J.; Hahn, T. Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4 Materials Research Bulletin 7 (1972) 1209-1218 Space group: P c a 21 Cell volume: 411.389 Cell parameters: 9.022; 5.288; 8.623; 90; 90; 90;

COD ID: 1526679
CIF file	Formula: - H2 Li N O3 S - Comments: Stade, J.; Bohaty, L.; Held, P. Crystal growth, crystal structure and physical properties of lithium sulfamate Li (N H2 S O3) Crystal Research and Technology 36 (2001) 347-360 Space group: P c a 21 Cell volume: 677.275 Cell parameters: 16.253; 5.0529; 8.2469; 90; 90; 90;

COD ID: 1529178
CIF file	Formula: - Co2 Na9 O7 - Comments: Sofin, M.; Jansen, M.; Peters, E.M. Synthesis, structure and magnetic properties of Na9 Co2 O7, a new mixed-valent sodium cobaltate(II, III) Solid State Sciences 6 (2004) 339-344 Space group: P c a 21 Cell volume: 963.75 Cell parameters: 9.5477; 9.904; 10.1919; 90; 90; 90;

COD ID: 1529297
CIF file	Formula: - C38 H54 Cl Cr N2 O6 - Comments: Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M. Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates Polym. Chem. 6(35) (2015) 6305 Space group: P c a 21 Cell volume: 7439 Cell parameters: 17.119; 11.491; 37.818; 90; 90; 90;

COD ID: 1529305
CIF file	Formula: - C9 H12 O2 - Comments: Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation Energy Environ. Sci. 8(9) (2015) 2734 Space group: P c a 21 Cell volume: 1689.62 Cell parameters: 18.8855; 7.9784; 11.2136; 90; 90; 90;

COD ID: 1529947
CIF file	Formula: - Ga0.2 Na1.8 O4 Si Zn0.8 - Comments: Frostaeng, S.; Werner, P.E. Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin 24 (1989) 833-843 Space group: P c a 21 Cell volume: 791.188 Cell parameters: 10.4593; 5.2314; 14.4597; 90; 90; 90;

COD ID: 1529948
CIF file	Formula: - Ga0.2 Ge Na1.8 O4 Zn0.8 - Comments: Frostaeng, S.; Werner, P.E. Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin 24 (1989) 833-843 Space group: P c a 21 Cell volume: 838.346 Cell parameters: 10.6366; 5.3289; 14.7905; 90; 90; 90;

COD ID: 1529949
CIF file	Formula: - Be Na2 O4 Si - Comments: Frostaeng, S.; Werner, P.E. Rietveld profile refinement of the sodium ion conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4 Materials Research Bulletin 24 (1989) 833-843 Space group: P c a 21 Cell volume: 672.9 Cell parameters: 9.866; 4.911; 13.888; 90; 90; 90;

COD ID: 1530008
CIF file	Formula: - O12 P4 Zr - Comments: Gorbunova, Yu.E.; Ilyukhin, V.V.; Lavrov, A.V.; Kuznetsova, V.G.; Linde, S.A. Structure of the rhombic modification of the zirconium polyphosphate Zr (P O3)4-II Doklady Akademii Nauk SSSR 234 (1977) 628-631 Space group: P c a 21 Cell volume: 1698.66 Cell parameters: 20.504; 9.758; 8.49; 90; 90; 90;

COD ID: 1530370
CIF file	Formula: - Ge4 Li Na O9 - Comments: Matveeva, R.G.; Ilyukhin, V.V.; Belov, N.V. The crystal structure of compound alkaline tetragermanate Doklady Akademii Nauk SSSR 213 (1973) 584-587 Space group: P c a 21 Cell volume: 694.113 Cell parameters: 15.9; 4.683; 9.322; 90; 90; 90;

COD ID: 1530396
CIF file	Formula: - C14 H30 Cl4 N4 Ni O4 - Comments: Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii) Chem. Sci. 6(12) (2015) 6823 Space group: P c a 21 Cell volume: 2087.6 Cell parameters: 12.3629; 12.8888; 13.1011; 90; 90; 90;

COD ID: 1530602
CIF file	Formula: - C6 H26 Co N12 O11 S - Comments: Ponomarenko, V.I.; Kurkutova, E.N.; Porai-Koshits, M.A.; Sulaimankulov, K. The crystal structure of cobalt sulfate hexacarbamide Doklady Akademii Nauk SSSR 234 (1977) 1074-1077 Space group: P c a 21 Cell volume: 2179.93 Cell parameters: 15.073; 7.215; 20.045; 90; 90; 90;

COD ID: 1530740
CIF file	Formula: - H6 Mo2 O12 U - Comments: Serezhkin, V.N.; Chuvaev, V.F.; Kovba, L.M.; Trunov, V.K. The structure of the synthetic iriginite Doklady Akademii Nauk SSSR 210 (1973) 873-876 Space group: P c a 21 Cell volume: 988.704 Cell parameters: 12.77; 6.715; 11.53; 90; 90; 90;

COD ID: 1530868
CIF file	Formula: - Bi2 Mo O6 - Comments: Theobald, F.R.; Laarif, A.; Hewat, A.W. The structure of Koechlinite bismuth molybdate. A controversy resolved by neutron diffraction Ferroelectrics 56 (1984) 219-237 Space group: P c a 21 Cell volume: 491.093 Cell parameters: 5.4896; 16.22658; 5.5131; 90; 90; 90;

COD ID: 1531884
CIF file	Formula: - F O6 Rb S U - Comments: Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkin, V.N.; Mit'kovskaya, E.V.; Serezhkina, L.B. Crystal structure of Rb (U O2 (S O4) F) Radiokhimiya 44 (2002) 290-292 Space group: P c a 21 Cell volume: 1966.07 Cell parameters: 25.393; 6.735; 11.496; 90; 90; 90;

COD ID: 1534067
CIF file	Formula: - As2 H10 O19 U3 - Comments: Locock, A.J.; Burns, P.C. Structures and syntheses of framework triuranyl diarsenate hydrates Journal of Solid State Chemistry 176 (2003) 18-26 Space group: P c a 21 Cell volume: 1684.45 Cell parameters: 20.133; 11.695; 7.154; 90; 90; 90;

COD ID: 1534118
CIF file	Formula: - C20 H18 F3 N3 O2 - Comments: Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines. Organic letters 17(18) (2015) 4568-4571 Space group: P c a 21 Cell volume: 3588.3 Cell parameters: 16.6564; 5.4719; 39.3699; 90; 90; 90;

COD ID: 1534542
CIF file	Formula: - Fe2 Na9 O7 - Comments: Amann, P.; Moeller, A. Na9 (Fe O3) (Fe o4) ein gemischtvalentes Oxoferrat(II,III) mit isolierten (Fe O3)(4-) und (Fe O4)(5-) Anionen Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 917-919 Space group: P c a 21 Cell volume: 986.138 Cell parameters: 9.5618; 9.991; 10.3226; 90; 90; 90;

COD ID: 1534893
CIF file	Formula: - Fe S2 - Comments: Bayliss, P. Crystal chemistry and crystallography of some minerals within the pyrite group American Mineralogist 74 (1989) 1168-1176 Space group: P c a 21 Cell volume: 158.956 Cell parameters: 5.417; 5.417; 5.417; 90; 90; 90;

COD ID: 1535378
CIF file	Formula: - F30 Sb8 - Comments: Minkwitz, R.; Nowicki, J. Kristallstruktur einer neuen Modifikation von Sb8F30 Zeitschrift fuer Anorganische und Allgemeine Chemie 605 (1991) 109-116 Space group: P c a 21 Cell volume: 2354.09 Cell parameters: 11.157; 11.002; 19.178; 90; 90; 90;

COD ID: 1535449

Formula: - Mn N4 O10 -
Comments: Tikhomirov, G.A.; Znamenkov, K.O.; Kemnitz, E.; Morozov, I.V.; Troyanov, S.I. Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 269-273
Space group: P c a 21
Cell volume: 1526.55
Cell parameters: 9.414; 15.929; 10.18; 90; 90; 90;

COD ID: 1535491
CIF file	Formula: - Cs H5 O3 - Comments: Mootz, D.; Ruetter, H. Hydrate schwacher und starker Basen. VII: Zum System Caesiumhydroxid-Wasser: Die Kristallstrukturen von CsOH2H2O und CsOH3H2O Zeitschrift fuer Anorganische und Allgemeine Chemie 608 (1992) 123-130 Space group: P c a 21 Cell volume: 814.658 Cell parameters: 13.238; 6.747; 9.121; 90; 90; 90;

COD ID: 1535664
CIF file	Formula: - F6 H8 N2 Zr - Comments: Bukvetskii, B.V.; Davidovich, R.L.; Gerasimenko, A.V. Crystal structures of ammonium fluorozirconates N H4 Zr F5 * 0.75 H2 O and (N H4)2 Zr F6 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 17 (1991) 35-43 Space group: P c a 21 Cell volume: 1208.03 Cell parameters: 13.396; 7.728; 11.669; 90; 90; 90;

COD ID: 1536108
CIF file	Formula: - As2 Ba2 S5 - Comments: Cordier, G.; Schwidetzky, C.; Schaefer, H. Darstellung und Struktur von Ba2 As2 S5 Revue de Chimie Minerale 20 (1983) 877-883 Space group: P c a 21 Cell volume: 1917.87 Cell parameters: 17.345; 9.256; 11.946; 90; 90; 90;

COD ID: 1536435
CIF file	Formula: - Cl11 Mo3 N2 - Comments: Dinh, Q.T.; Richter, M.; Straehle, J.; Niquet, E. Synthese und Struktur von Mo2 N Cl8 und Mo3 N2 Cl11 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1921-1924 Space group: P c a 21 Cell volume: 1673.83 Cell parameters: 12.5605; 10.0189; 13.301; 90; 90; 90;

COD ID: 1536487
CIF file	Formula: - Ce6 O21 Si6 - Comments: Kepinski, L.; Wocyrz, M.; Marchewka, M. Structure evolution of nanocrystalline Ce O2 supported on silica: effect of temperature and atmosphere Journal of Solid State Chemistry 168 (2002) 110-118 Space group: P c a 21 Cell volume: 1699.27 Cell parameters: 23.422; 7.196; 10.082; 90; 90; 90;

COD ID: 1536525
CIF file	Formula: - C0.96 Mo1.93 - Comments: Khaenko, B.V.; Gnitetskii, O.A.; Kublii, V.Z. Structure of ordered carbide beta'-Mo2 C: results of single crystal diffraction study. Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki 1991 (1991) 78-82 Space group: P c a 21 Cell volume: 147.818 Cell parameters: 6.022; 4.725; 5.195; 90; 90; 90;

COD ID: 1537571
CIF file	Formula: - H8 K2 O15 P4 - Comments: Larbot, A.; Norbert, A.; Durand, J. Sur l'Existence d'un Intermediaire Reactionnel Entre Phosphate et Pyrophosphate Acide de Potassium: Cas de K2 H8 (P O4)2 P2 O7 Zeitschrift fuer Anorganische und Allgemeine Chemie 486 (1982) 200-206 Space group: P c a 21 Cell volume: 1366.01 Cell parameters: 9.364; 7.458; 19.56; 90; 90; 90;

COD ID: 1540453
CIF file	Formula: - C17 H14 B N3 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P c a 21 Cell volume: 1518.8 Cell parameters: 19.788; 6.095; 12.5928; 90; 90; 90;

COD ID: 1540603

Formula: - C15 H12 B N3 O -
Comments: Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters 17(22) (2015) 5594-5597
Space group: P c a 21
Cell volume: 1235.7
Cell parameters: 7.6982; 5.5273; 29.041; 90; 90; 90;

COD ID: 1540620
CIF file	Formula: - C30 H26 O3 S - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters 17(22) (2015) 5702-5705 Space group: P c a 21 Cell volume: 2365.8 Cell parameters: 16.1272; 8.2497; 17.782; 90; 90; 90;

COD ID: 1541213
CIF file	Formula: - Cs2 N12 Zn - Comments: Mautner, F.A.; Krischner, H. Verfeinerung der Kristallstruktur des Dicaesium-TetraazidoZinkates Cs2Zn(N3) und die Kristallstrukturen komplexer Zinkazide. Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 121 (1990) 91-97 Space group: P c a 21 Cell volume: 1098.7 Cell parameters: 21.88; 6.762; 7.426; 90; 90; 90;

COD ID: 1541748

Formula: - Ba2 N5 O10 Tl -
Comments: Gasparri, G.F.; Nardelli, M.; Fermi, F. Structural research on non-transition metal double nitrites. Crystal structure, optical absorption and emission of Tl Ba2 (N O2)5 Proceedings of the Indian Academy of Sciences, Serie: Chem. Sci. 93 (1984) 283-293
Space group: P c a 21
Cell volume: 1183.65
Cell parameters: 17.868; 4.934; 13.426; 90; 90; 90;

COD ID: 1541761
CIF file	Formula: - In2 S8 Sn2 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: P c a 21 Cell volume: 5887.57 Cell parameters: 13.379; 16.943; 25.973; 90; 90; 90;

COD ID: 1541858
CIF file	Formula: - Cd N2 O6 - Comments: Louer, M.; Louer, D.; Grandjean, D. Structure cristalline et polymorphisme du nitrate de cadmium anhydre Journal of Solid State Chemistry 17 (1976) 231-237 Space group: P c a 21 Cell volume: 866.201 Cell parameters: 7.5073; 15.3692; 7.5073; 90; 90; 90;

COD ID: 1541913

Formula: - C14 H25 N O5 S Si -
Comments: Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M. Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy. Organic letters 18(2) (2016) 284-287
Space group: P c a 21
Cell volume: 1815.2
Cell parameters: 16.204; 10.0147; 11.186; 90; 90; 90;

COD ID: 1542534
CIF file	Formula: - C19 H18 N2 O3 - Comments: Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido 3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation. Organic letters 18(5) (2016) 1206 Space group: P c a 21 Cell volume: 3428.17 Cell parameters: 18.7959; 22.7469; 8.0182; 90; 90; 90;

COD ID: 1542900

Formula: - C12 H12 O -
Comments: Garozzo, Lee Ann; Nazarenko, Alexander Y. 2-(Naphthalen-1-yl)ethanol IUCrData 1(3) (2016) x160423
Space group: P c a 21
Cell volume: 1847.13
Cell parameters: 9.8022; 14.9047; 12.643; 90; 90; 90;

COD ID: 1542935

Formula: - C22 H20 Cl2 N2 O -
Comments: Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri 1-[(7E)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone IUCrData 1(3) (2016) x160474
Space group: P c a 21
Cell volume: 1932.4
Cell parameters: 20.9334; 10.2009; 9.0493; 90; 90; 90;

COD ID: 1543045

Formula: - C14 H12 N4 O2 -
Comments: Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity. Journal of natural products 79(4) (2016) 1219-1222
Space group: P c a 21
Cell volume: 1212.1
Cell parameters: 29.815; 4.718; 8.617; 90; 90; 90;

COD ID: 1543054
CIF file HKL data	Formula: - C6 H12 O6 - Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73 Space group: P c a 21 Cell volume: 722.03 Cell parameters: 11.8577; 7.01486; 8.68032; 90; 90; 90;

COD ID: 1543216

Formula: - C24 H27 N O7 -
Comments: El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation. Organic letters 18(10) (2016) 2383-2386
Space group: P c a 21
Cell volume: 2237.1
Cell parameters: 22.7748; 6.0842; 16.1449; 90; 90; 90;

COD ID: 1543398
CIF file	Formula: - C16 H13 N3 O - Comments: Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines. Organic letters 18(12) (2016) 2890-2893 Space group: P c a 21 Cell volume: 1333.94 Cell parameters: 19.0121; 4.9106; 14.288; 90; 90; 90;

COD ID: 1543536

Formula: - C14 H11 N3 O2 -
Comments: Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Methyl-5-nitro-3-phenyl-1H-indazole IUCrData 1(6) (2016) x160961
Space group: P c a 21
Cell volume: 2457.69
Cell parameters: 33.4769; 7.4977; 9.7916; 90; 90; 90;

COD ID: 1543610

Formula: - C36 H52 Cl2 Cu N4 O8 -
Comments: Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex Inorganica Chimica Acta 409B (2014) 315-319
Space group: P c a 21
Cell volume: 3592.51
Cell parameters: 17.109; 15.7941; 13.2947; 90; 90; 90;

COD ID: 1543828
CIF file	Formula: - C26 H22 N2 O2 - Comments: Zhang, Jianbo; Han, Xiuling; Lu, Xiyan Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles. Organic letters 18(12) (2016) 2898-2901 Space group: P c a 21 Cell volume: 4154.7 Cell parameters: 19.3078; 10.3786; 20.7335; 90; 90; 90;

COD ID: 1544042

Formula: - C24 H33 Ca2 N3 O12 S2 -
Comments: Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection Chem. Sci. 7(9) (2016) 5983
Space group: P c a 21
Cell volume: 3256.39
Cell parameters: 22.6505; 11.2352; 12.7961; 90; 90; 90;

COD ID: 1544163
CIF file	Formula: - C16 H18 O6 - Comments: Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong Total Synthesis and Structural Reassignment of (±)-Cereoanhydride. Organic letters 18(19) (2016) 4958-4961 Space group: P c a 21 Cell volume: 1568.5 Cell parameters: 11.97; 16; 8.19; 90; 90; 90;

COD ID: 1544205
CIF file	Formula: - C17 H13 N3 O2 - Comments: Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci. 8(2) (2017) 946 Space group: P c a 21 Cell volume: 1386.1 Cell parameters: 13.283; 13.585; 7.6811; 90; 90; 90;

COD ID: 1544751
CIF file	Formula: - C35 H53 Fe N2 P3 Si - Comments: Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science 8(3) (2017) 2321-2328 Space group: P c a 21 Cell volume: 3490.36 Cell parameters: 17.8087; 11.3207; 17.3127; 90; 90; 90;

COD ID: 1544761
CIF file	Formula: - C142 H160 Er5 F90 N47 O100 S30 - Comments: Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V. Breaking the paradigm: record quindecim charged magnetic ionic liquids Mater. Horiz. 4(2) (2017) 217 Space group: P c a 21 Cell volume: 27277.1 Cell parameters: 17.2096; 31.3584; 50.5444; 90; 90; 90;

COD ID: 1544939
CIF file	Formula: - C32 H41 N O7 S Si - Comments: Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. Organic letters 19(1) (2017) 162-165 Space group: P c a 21 Cell volume: 3168.68 Cell parameters: 25.6854; 8.0217; 15.3789; 90; 90; 90;

COD ID: 1544991
CIF file	Formula: - C18 H17 F3 O2 S2 - Comments: Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci. 8(4) (2017) 2610 Space group: P c a 21 Cell volume: 3548 Cell parameters: 11.2567; 11.6409; 27.0758; 90; 90; 90;

COD ID: 1545019

Formula: - C14 H14 N2 O -
Comments: Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (E)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol IUCrData 2(1) (2017) x162009
Space group: P c a 21
Cell volume: 1155
Cell parameters: 23.44; 4.6307; 10.6408; 90; 90; 90;

COD ID: 1545429

Formula: - C21 H20 O3 -
Comments: Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones. Organic letters 19(5) (2017) 1248-1251
Space group: P c a 21
Cell volume: 1680.1
Cell parameters: 11.8946; 18.6719; 7.5647; 90; 90; 90;

COD ID: 1545435
CIF file	Formula: - C13 H17 N O3 - Comments: Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M. Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives. Organic letters 19(5) (2017) 988-991 Space group: P c a 21 Cell volume: 5217.9 Cell parameters: 16.7256; 12.4161; 25.1262; 90; 90; 90;

COD ID: 1545733

Formula: - C20 H29 Fe N O3 -
Comments: Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation Chem. Sci. (2017)
Space group: P c a 21
Cell volume: 1988.67
Cell parameters: 15.0303; 10.4122; 12.7073; 90; 90; 90;

COD ID: 1545745
CIF file	Formula: - C20 H19 N O2 S - Comments: Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit An Organic Intermolecular Dehydrogenative Annulation Reaction. Organic letters 19(8) (2017) 2006-2009 Space group: P c a 21 Cell volume: 3443.1 Cell parameters: 15.6695; 5.5971; 39.2584; 90; 90; 90;

COD ID: 1545937
CIF file	Formula: - C16 H23 N3 - Comments: Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay Synthesis and Reactivity of 1-Allenyltriazenes. Organic letters 19(8) (2017) 2070-2073 Space group: P c a 21 Cell volume: 1594.87 Cell parameters: 10.4082; 7.7785; 19.6994; 90; 90; 90;

COD ID: 1546093
CIF file	Formula: - C15 H10 O2 - Comments: Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on The Journal of Physical Chemistry C 121(21) (2017) 11907 Space group: P c a 21 Cell volume: 1040.78 Cell parameters: 24.2286; 5.6429; 7.6125; 90; 90; 90;

COD ID: 1546237

Formula: - C28 H25 N O4 -
Comments: Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H. Organic letters 19(11) (2017) 2965-2968
Space group: P c a 21
Cell volume: 2280.53
Cell parameters: 14.8441; 10.42006; 14.7439; 90; 90; 90;

COD ID: 1546421
CIF file	Formula: - C23 H23 N5 O8 S - Comments: Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L. Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines. Organic letters 19(13) (2017) 3568-3571 Space group: P c a 21 Cell volume: 2337.2 Cell parameters: 31.325; 4.708; 15.8478; 90; 90; 90;

COD ID: 1546539
CIF file	Formula: - C18 H21 N O S - Comments: Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N‒O Bond Macromolecules 50(14) (2017) 5301 Space group: P c a 21 Cell volume: 1621.6 Cell parameters: 16.9235; 9.5861; 9.9959; 90; 90; 90;

COD ID: 1546634

Formula: - C33 H27 N O2 -
Comments: Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T. 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione IUCrData 2(4) (2017) x170581
Space group: P c a 21
Cell volume: 2579.94
Cell parameters: 17.5297; 12.1853; 12.0781; 90; 90; 90;

COD ID: 1546655

Formula: - C19 H19 N3 -
Comments: González, Gerardo García; Unnamatla, M. V. Basavanag 9-(1H-Benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline IUCrData 2(3) (2017) x170445
Space group: P c a 21
Cell volume: 1522.62
Cell parameters: 14.054; 11.2639; 9.6184; 90; 90; 90;

COD ID: 1546705

Formula: - C19 H16 O3 S -
Comments: Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz Biphenyl-4-yl 4-methylbenzenesulfonate IUCrData 2(7) (2017) x170982
Space group: P c a 21
Cell volume: 1528.42
Cell parameters: 33.2932; 7.9284; 5.7903; 90; 90; 90;

COD ID: 1547054
CIF file	Formula: - C11 H16 N2 O2 - Comments: Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones. Organic letters 19(17) (2017) 4464-4467 Space group: P c a 21 Cell volume: 2160.6 Cell parameters: 24.608; 7.147; 12.285; 90; 90; 90;

COD ID: 1547085
CIF file	Formula: - C52 H50 N2 O4 Si - Comments: Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides. Organic letters 19(16) (2017) 4331-4334 Space group: P c a 21 Cell volume: 4404.6 Cell parameters: 20.8; 13.066; 16.207; 90; 90; 90;

COD ID: 1547240
CIF file	Formula: - C13 H14 F N O - Comments: Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines. Organic letters 19(19) (2017) 5300-5303 Space group: P c a 21 Cell volume: 2306.2 Cell parameters: 11.246; 17.285; 11.864; 90; 90; 90;

COD ID: 1547584
CIF file	Formula: - C19 H20 N2 O - Comments: Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters 19(18) (2017) 4880-4883 Space group: P c a 21 Cell volume: 3082.4 Cell parameters: 13.7527; 9.8191; 22.826; 90; 90; 90;

COD ID: 1547700
CIF file	Formula: - C17 H20 F2 O2 - Comments: Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids. Organic letters 19(21) (2017) 5900-5903 Space group: P c a 21 Cell volume: 1528.3 Cell parameters: 9.8218; 12.5329; 12.4155; 90; 90; 90;

COD ID: 1547809
CIF file Original IUCr paper	Formula: - C13 H9 Cl2 N3 O2 - Comments: Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ 4(6) (2017) 812-823 Space group: P c a 21 Cell volume: 1361.6 Cell parameters: 15.441; 8.3179; 10.6014; 90; 90; 90;

COD ID: 1547899

Formula: - C16 H40 Al2 Cl10 Mg2 O8 -
Comments: Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C 121(45) (2017) 24909
Space group: P c a 21
Cell volume: 3704.4
Cell parameters: 26.523; 7.284; 19.1745; 90; 90; 90;

COD ID: 1547903

Formula: - C22 H15 O P -
Comments: Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P. Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties Macromolecules 50(22) (2017) 8916
Space group: P c a 21
Cell volume: 1729
Cell parameters: 19.497; 7.603; 11.664; 90; 90; 90;

COD ID: 1548066

Formula: - C16 H39 Al2 Cl10 Mg2 O8 -
Comments: Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery Energy & Environmental Science (2017)
Space group: P c a 21
Cell volume: 3745.1
Cell parameters: 26.533; 7.3366; 19.239; 90; 90; 90;

COD ID: 1548337

Formula: - C4 H3 N3 O4 Zn -
Comments: Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform Nature Communications 4 (2013) 2684
Space group: P c a 21
Cell volume: 700.8
Cell parameters: 14.268; 4.5707; 10.746; 90; 90; 90;

COD ID: 1548488

Formula: - C14 H30 Cl4 N4 Ni O4 -
Comments: Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science 9(6) (2018) 1551-1559
Space group: P c a 21
Cell volume: 2145
Cell parameters: 12.5175; 13.082; 13.0989; 90; 90; 90;

COD ID: 1548489

Formula: - C14 H30 Cl4 N4 Ni O4 -
Comments: Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science 9(6) (2018) 1551-1559
Space group: P c a 21
Cell volume: 1937.2
Cell parameters: 11.9968; 12.5527; 12.8642; 90; 90; 90;

COD ID: 1548490

Formula: - C14 H30 Cl4 N4 Ni O4 -
Comments: Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science 9(6) (2018) 1551-1559
Space group: P c a 21
Cell volume: 1936.4
Cell parameters: 11.9924; 12.5546; 12.8611; 90; 90; 90;

COD ID: 1548491

Formula: - C14 H30 Cl4 N4 Ni O4 -
Comments: Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science 9(6) (2018) 1551-1559
Space group: P c a 21
Cell volume: 2062.61
Cell parameters: 12.3181; 12.8429; 13.038; 90; 90; 90;

COD ID: 1548492

Formula: - C14 H30 Cl4 N4 Ni O4 -
Comments: Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical science 9(6) (2018) 1551-1559
Space group: P c a 21
Cell volume: 2018.2
Cell parameters: 12.2089; 12.7469; 12.9686; 90; 90; 90;

COD ID: 1548647

Formula: - C H12 B11 Li -
Comments: Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science 8 (2015) 3637-3645
Space group: P c a 21
Cell volume: 892.29
Cell parameters: 9.6668; 9.4892; 9.7273; 90; 90; 90;

COD ID: 1548648

Formula: - C H12 B11 Na -
Comments: Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science 8 (2015) 3637-3645
Space group: P c a 21
Cell volume: 950.3
Cell parameters: 9.7821; 9.6254; 10.0928; 90; 90; 90;

COD ID: 1548752
CIF file	Formula: - C34 H33 F4 Mg N3 - Comments: Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science 9(8) (2018) 2348-2356 Space group: P c a 21 Cell volume: 6207.39 Cell parameters: 24.8934; 13.45834; 18.5282; 90; 90; 90;

COD ID: 1549088

Formula: - C43 H54 B2 -
Comments: Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp3)-H activation and nucleophilic substitution reactions. Chemical science 9(15) (2018) 3881-3891
Space group: P c a 21
Cell volume: 3620
Cell parameters: 41.344; 14.272; 6.1349; 90; 90; 90;

COD ID: 1549239

Formula: - C20 H25 N O5 S -
Comments: Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a meta-selective rearrangement. Chemical science 9(17) (2018) 4124-4131
Space group: P c a 21
Cell volume: 3827.2
Cell parameters: 11.7592; 10.1198; 32.161; 90; 90; 90;

COD ID: 1549368
CIF file	Formula: - C62 H48 Co F N4 O4 - Comments: Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science 9(22) (2018) 4999-5007 Space group: P c a 21 Cell volume: 4803.5 Cell parameters: 21.495; 13.598; 16.434; 90; 90; 90;

COD ID: 1549373
CIF file	Formula: - C22 H17 N O9 - Comments: Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science 9(21) (2018) 4898-4908 Space group: P c a 21 Cell volume: 1807.9 Cell parameters: 7.0231; 17.534; 14.6817; 90; 90; 90;

COD ID: 1549524
CIF file	Formula: - H6 N4 Ni O6 - Comments: Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H. Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate Inorganics 6 (2018) Space group: P c a 21 Cell volume: 625.49 Cell parameters: 11.0628; 6.0454; 9.3526; 90; 90; 90;

COD ID: 1549675

Formula: - C17 H13 N5 O -
Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 2-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole IUCrData 3(7) (2018) x180966
Space group: P c a 21
Cell volume: 5853.1
Cell parameters: 23.5234; 10.5928; 23.4895; 90; 90; 90;

COD ID: 1549687
CIF file	Formula: - C26 H17 Br2 N3 - Comments: Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science (2018) Space group: P c a 21 Cell volume: 2141.2 Cell parameters: 25.043; 10.3564; 8.256; 90; 90; 90;

COD ID: 1549948

Formula: - C10 H12 N2 -
Comments: Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole IUCrJ 5(6) (2018)
Space group: P c a 21
Cell volume: 1823.13
Cell parameters: 9.0006; 20.7778; 9.7487; 90; 90; 90;

COD ID: 1550153
CIF file	Formula: - C49 H60 B2 Co F8 N5 Ni P2 S2 - Comments: Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science (2019) Space group: P c a 21 Cell volume: 5371.4 Cell parameters: 21.9622; 11.6996; 20.9046; 90; 90; 90;

COD ID: 1550564
CIF file	Formula: - C33 H59 Cu4 N3 - Comments: Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science (2019) Space group: P c a 21 Cell volume: 3391 Cell parameters: 11.2175; 15.925; 18.9824; 90; 90; 90;

COD ID: 1551172

Formula: - C24 H42 Cl5 F3 N4 O3 P2 S -
Comments: Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC) Chemical Science (2019)
Space group: P c a 21
Cell volume: 3595.37
Cell parameters: 11.51562; 10.67077; 29.25903; 90; 90; 90;

COD ID: 1551244

Formula: - C13 H10 I N O -
Comments: Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. (E)-4-Iodo-2-[(phenylimino)methyl]phenol IUCrData 4(6) (2019)
Space group: P c a 21
Cell volume: 1173
Cell parameters: 7.0848; 26.422; 6.2664; 90; 90; 90;

COD ID: 1551395

Formula: - C14 H31 Cl N5 Ni O6 -
Comments: Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex Nature Chemistry 1 (2009) 568-572
Space group: P c a 21
Cell volume: 2032.6
Cell parameters: 17.8908; 7.3739; 15.4074; 90; 90; 90;

COD ID: 1551404

Formula: - C31 H34 F6 N6 O9 S2 Zn -
Comments: Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith Superoxide dismutase activity enabled by a redox-active ligand rather than metal Nature Chemistry 10 (2018) 1207-1212
Space group: P c a 21
Cell volume: 3671.9
Cell parameters: 16.6985; 12.4092; 17.7201; 90; 90; 90;

COD ID: 1551605
CIF file	Formula: - C66 H82 B2 N6 O6 Zn - Comments: ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi Crystal Structure of a Trigonally Compressed Hexakis-DMF Zinc(II) Complex X-ray Structure Analysis Online 32 (2016) 21 Space group: P c a 21 Cell volume: 6175.4 Cell parameters: 30.231; 9.2503; 22.083; 90; 90; 90;

COD ID: 1551606
CIF file	Formula: - C24 H27 B Ge O2 - Comments: BOWES, Eric G.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. Synthesis and Molecular Structure of Ph<sub>3</sub>GeBO<sub>2</sub>C<sub>2</sub>Me<sub>4</sub> X-ray Structure Analysis Online 32 (2016) 35 Space group: P c a 21 Cell volume: 4455.1 Cell parameters: 16.669; 9.933; 26.907; 90; 90; 90;

COD ID: 1551670

Formula: - C88 H108 B3 Ce O8 S8 -
Comments: SAKIYAMA, Hiroshi; YUZAWA, Hidetaka; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Structural Feature of an Octakis-DMSO Cerium(III) Complex: Tetragonal Antiprismatic Coordination Geometry along the c Axis X-ray Structure Analysis Online 30 (2014) 19
Space group: P c a 21
Cell volume: 17487
Cell parameters: 27.657; 23.834; 26.529; 90; 90; 90;

COD ID: 1551724
CIF file	Formula: - C66 H82 B2 N6 Ni O6 - Comments: YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group X-ray Structure Analysis Online 27 (2011) 71 Space group: P c a 21 Cell volume: 6182.76 Cell parameters: 30.2714; 9.26438; 22.0462; 90; 90; 90;

COD ID: 1551969
CIF file	Formula: - C6 H8 O4 - Comments: Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry 7 (2015) 483-488 Space group: P c a 21 Cell volume: 1247.6 Cell parameters: 11.166; 12.913; 8.653; 90; 90; 90;

COD ID: 1552143

Formula: - C9 H6 O4 Zn -
Comments: Jia, Jason; LaDuca, Robert L. Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)] IUCrData 4(7) (2019) x191014
Space group: P c a 21
Cell volume: 808.54
Cell parameters: 9.6314; 4.8612; 17.269; 90; 90; 90;

COD ID: 1552292

Formula: - C13 H11 N O -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: P c a 21
Cell volume: 1020
Cell parameters: 23.354; 5.6449; 7.7373; 90; 90; 90;

COD ID: 1552320

Formula: - C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -
Comments: Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability Chemical Science (2019)
Space group: P c a 21
Cell volume: 5817.8
Cell parameters: 12.2124; 14.5258; 32.7959; 90; 90; 90;

COD ID: 1552375
CIF file	Formula: - C12 Al Cl3 F28 O3 Se - Comments: Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase Chemical Science (2019) Space group: P c a 21 Cell volume: 2642.3 Cell parameters: 17.32; 14.8685; 10.2605; 90; 90; 90;

COD ID: 1552416
CIF file	Formula: - C29 H36 Cl F6 Ir O P2 - Comments: Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua One-pot syntheses of irida-polycyclic aromatic hydrocarbons Chemical Science (2019) Space group: P c a 21 Cell volume: 3087 Cell parameters: 17.83; 10.25; 16.89; 90; 90; 90;

COD ID: 1552838
CIF file	Formula: - C63 H55 Cl N2 Pd S4 - Comments: Na, Yinna; Dai, Shengyu; Chen, Changle Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE) Macromolecules 51(11) (2018) 4040 Space group: P c a 21 Cell volume: 5892.4 Cell parameters: 24.121; 9.6946; 25.198; 90; 90; 90;

COD ID: 1553075
CIF file	Formula: - C9 H9 N7 O - Comments: Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles Organic Chemistry Frontiers 2(5) (2015) 492 Space group: P c a 21 Cell volume: 1073.97 Cell parameters: 9.9162; 14.8123; 7.3118; 90; 90; 90;

COD ID: 1553432

Formula: - C23 H15 Cl3 N2 O2 -
Comments: Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling Organic Chemistry Frontiers 3(7) (2016) 799
Space group: P c a 21
Cell volume: 1895
Cell parameters: 7.7032; 16.441; 14.9629; 90; 90; 90;

COD ID: 1553502
CIF file	Formula: - C22 H13 N S - Comments: Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling Organic Chemistry Frontiers 3(11) (2016) 1520 Space group: P c a 21 Cell volume: 1481.15 Cell parameters: 16.3471; 11.2916; 8.0242; 90; 90; 90;

COD ID: 1553779

Formula: - C21 H16 N2 O3 -
Comments: Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones Organic Chemistry Frontiers 4(8) (2017) 1513
Space group: P c a 21
Cell volume: 1695.2
Cell parameters: 11.0348; 21.2718; 7.2221; 90; 90; 90;

COD ID: 1553822

Formula: - C19 H15 N3 O4 -
Comments: Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O. Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis Organic Chemistry Frontiers 4(10) (2017) 1947
Space group: P c a 21
Cell volume: 3364.12
Cell parameters: 16.2553; 8.3116; 24.8996; 90; 90; 90;

COD ID: 1554036

Formula: - C11 H5 N2 O5 a -
Comments: Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L. Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study. The journal of physical chemistry. B 119(33) (2015) 10466-10477
Space group: P c a 21
Cell volume: 1282.02
Cell parameters: 32.1; 4.1188; 9.6966; 90; 90; 90;

COD ID: 1554245

Formula: - C29 H20 N2 -
Comments: Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers 3(2) (2019) 284
Space group: P c a 21
Cell volume: 2049.6
Cell parameters: 8.7745; 11.508; 20.298; 90; 90; 90;

COD ID: 1554246

Formula: - C29 H23 N O -
Comments: Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence Materials Chemistry Frontiers 3(2) (2019) 284
Space group: P c a 21
Cell volume: 2070.6
Cell parameters: 45.21; 6.1483; 7.449; 90; 90; 90;

COD ID: 1554280

Formula: - C20 H14 N2 O2 -
Comments: Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers 5(10) (2018) 1679
Space group: P c a 21
Cell volume: 2790.5
Cell parameters: 16.9028; 16.5253; 9.9901; 90; 90; 90;

COD ID: 1554282

Formula: - C20 H16 N2 O2 -
Comments: Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives Organic Chemistry Frontiers 5(10) (2018) 1679
Space group: P c a 21
Cell volume: 1450.4
Cell parameters: 17.23; 8.7235; 9.6499; 90; 90; 90;

COD ID: 1554295

Formula: - C44 H44 Cl2 N2 O6 S -
Comments: Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines Organic Chemistry Frontiers 5(13) (2018) 2020
Space group: P c a 21
Cell volume: 3949.6
Cell parameters: 18.1688; 18.3501; 11.8464; 90; 90; 90;

COD ID: 1554532
CIF file	Formula: - C19 H15 N O3 - Comments: Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides Organic Chemistry Frontiers 6(2) (2019) 226 Space group: P c a 21 Cell volume: 1449.9 Cell parameters: 14.3845; 4.3448; 23.199; 90; 90; 90;

COD ID: 1554536
CIF file	Formula: - C20 H15 Br2 N O2 - Comments: 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 6(4) (2019) 468 Space group: P c a 21 Cell volume: 3583.9 Cell parameters: 7.0667; 23.0878; 21.9663; 90; 90; 90;

COD ID: 1554794
CIF file	Formula: - C19 H24 N2 O - Comments: 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 17(5) (2015) 1200-1203 Space group: P c a 21 Cell volume: 1630.5 Cell parameters: 12.8993; 10.853; 11.6466; 90; 90; 90;

COD ID: 1554976

Formula: - C15 H13 N3 -
Comments: 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 6(17) (2019) 3071
Space group: P c a 21
Cell volume: 1217.06
Cell parameters: 12.9687; 13.0705; 7.18; 90; 90; 90;

COD ID: 1555056

Formula: - C21 H22 O11 -
Comments: 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 6(18) (2019) 3274
Space group: P c a 21
Cell volume: 2003.38
Cell parameters: 8.33914; 13.29606; 18.06836; 90; 90; 90;

COD ID: 1555085

Formula: - C3.38 H1.96 Cl0.18 F1.6 N0 O0.18 -
Comments: 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 6(20) (2019) 3575
Space group: P c a 21
Cell volume: 3916
Cell parameters: 11.543; 10.4; 32.618; 90; 90; 90;

COD ID: 1555105
CIF file	Formula: - C8 H10 O4 - Comments: 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 17(14) (2015) 3604-3607 Space group: P c a 21 Cell volume: 761.4 Cell parameters: 10.571; 5.838; 12.338; 90; 90; 90;

COD ID: 1555320
CIF file	Formula: - C21 H17 N - Comments: Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions. Organic letters 17(19) (2015) 4862-4865 Space group: P c a 21 Cell volume: 1494.4 Cell parameters: 20.9818; 8.85852; 8.04013; 90; 90; 90;

COD ID: 1555425
CIF file	Formula: - C39 H46 N2 Si2 - Comments: 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 17(24) (2015) 6154-6157 Space group: P c a 21 Cell volume: 3431.9 Cell parameters: 13.9869; 12.5966; 19.4789; 90; 90; 90;

COD ID: 1555578
CIF file	Formula: - C24 H19 N0.25 O3 - Comments: 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 18(11) (2016) 2738-2741 Space group: P c a 21 Cell volume: 1810.5 Cell parameters: 20.6513; 5.9284; 14.7885; 90; 90; 90;

COD ID: 1555846

Formula: - C22 H22 O7 -
Comments: 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 18(19) (2016) 5170-5173
Space group: P c a 21
Cell volume: 1917.5
Cell parameters: 15.8269; 5.82087; 20.8138; 90; 90; 90;

COD ID: 1556432
CIF file	Formula: - C33 H26 N2 O3 - Comments: 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 7 (2019) 109 Space group: P c a 21 Cell volume: 4996.2 Cell parameters: 19.195; 8.503; 30.611; 90; 90; 90;

COD ID: 1556437
CIF file	Formula: - C22 H44 Co N4 Si4 - Comments: 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 7 (2019) 117 Space group: P c a 21 Cell volume: 5977.2 Cell parameters: 18.7674; 18.103; 17.593; 90; 90; 90;

COD ID: 1556443
CIF file	Formula: - C22 H44 N4 Si4 Zn - Comments: 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 7 (2019) 117 Space group: P c a 21 Cell volume: 6004.5 Cell parameters: 18.8806; 18.056; 17.6133; 90; 90; 90;

COD ID: 1556664
CIF file	Formula: - C24 H37 B4 Cr O4 W2 - Comments: 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 7 (2019) 27 Space group: P c a 21 Cell volume: 5774 Cell parameters: 23.323; 14.555; 17.009; 90; 90; 90;

COD ID: 1556682
CIF file	Formula: - C15 H33 B10 Cl Ge N2 - Comments: 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 7 (2019) 41 Space group: P c a 21 Cell volume: 2241.6 Cell parameters: 16.166; 11.279; 12.294; 90; 90; 90;

COD ID: 1556769

Formula: - C19 H19 N O8 -
Comments: 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 2(Pt 3) (2015) 341-351
Space group: P c a 21
Cell volume: 3628.6
Cell parameters: 40.692; 5.4524; 16.3546; 90; 90; 90;

COD ID: 1557057
CIF file	Formula: - C22 H27 B O2 - Comments: 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 10(5) (2020) 1492-1497 Space group: P c a 21 Cell volume: 3942.7 Cell parameters: 25.447; 6.3811; 24.281; 90; 90; 90;

COD ID: 1557253

Formula: - C54 H99 Am Br3 O3 P3 -
Comments: 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5993
Cell parameters: 28.768; 11.456; 18.185; 90; 90; 90;

COD ID: 1557254

Formula: - C54 H99 Br3 Nd O3 P3 -
Comments: 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5946.8
Cell parameters: 28.7058; 11.4228; 18.1359; 90; 90; 90;

COD ID: 1557255

Formula: - C54 H99 Br3 Ce O3 P3 -
Comments: 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 6021.2
Cell parameters: 28.92; 11.434; 18.209; 90; 90; 90;

COD ID: 1557256

Formula: - C54 H99 Br3 La O3 P3 -
Comments: 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 6006.3
Cell parameters: 28.879; 11.4223; 18.2083; 90; 90; 90;

COD ID: 1557257

Formula: - C54 H99 Br3 O3 P3 Pr -
Comments: 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5941.5
Cell parameters: 28.7155; 11.4126; 18.1299; 90; 90; 90;

COD ID: 1557400

Formula: - C22 H26 B Br O2 -
Comments: 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 11(12) (2020) 3258-3267
Space group: P c a 21
Cell volume: 2076.52
Cell parameters: 20.7096; 6.4384; 15.5735; 90; 90; 90;

COD ID: 1557427

Formula: - C19 H33 Cl2 N O10 -
Comments: 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)
Space group: P c a 21
Cell volume: 4742.13
Cell parameters: 17.5144; 22.5809; 11.9905; 90; 90; 90;

COD ID: 1557554

Formula: - C13 H8 N4 O9 -
Comments: 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 50 (1996) 587-595
Space group: P c a 21
Cell volume: 2877.8
Cell parameters: 12.16; 8.519; 27.78; 90; 90; 90;

COD ID: 1557852

Formula: - C13 H14 O6 S -
Comments: 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 Talaromyces sp. Journal of natural products (2020)
Space group: P c a 21
Cell volume: 1331.1
Cell parameters: 18; 9.537; 7.754; 90; 90; 90;

COD ID: 1558441
CIF file	Formula: - C11 H16 O3 S - Comments: Koskimies, Jorma; Uggla, Rolf; Sundberg, Markku R. A Sulfur-Stabilized Enol Acta Chemica Scandinavica 48 (1994) 417-422 Space group: P c a 21 Cell volume: 1128.5 Cell parameters: 11.942; 5.399; 17.503; 90; 90; 90;

COD ID: 1558536

Formula: - C18 H16 O2 Te -
Comments: 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 11(29) (2020) 4693-4698
Space group: P c a 21
Cell volume: 1530.5
Cell parameters: 18.4073; 13.2209; 6.2891; 90; 90; 90;

COD ID: 1558540
CIF file	Formula: - C19 H21 Cl2 N Ru - Comments: 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 10(15) (2020) 5163-5170 Space group: P c a 21 Cell volume: 1764.93 Cell parameters: 7.1672; 13.7037; 17.9697; 90; 90; 90;

COD ID: 1558770
CIF file	Formula: - C21 H28 B N - Comments: 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) Space group: P c a 21 Cell volume: 1834.6 Cell parameters: 12.67; 11.135; 13.004; 90; 90; 90;

COD ID: 1558778
CIF file	Formula: - C28 H51 B Cl N P Rh - Comments: 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) Space group: P c a 21 Cell volume: 6023 Cell parameters: 21.577; 8.0109; 34.845; 90; 90; 90;

COD ID: 1558877
CIF file	Formula: - C212 H260 N20 O76 Zn8 - Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430 Space group: P c a 21 Cell volume: 24209.2 Cell parameters: 36.4926; 14.6058; 45.4204; 90; 90; 90;

COD ID: 1558959
CIF file	Formula: - C13 H24 B10 - Comments: 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) Space group: P c a 21 Cell volume: 1781.64 Cell parameters: 18.2149; 8.1437; 12.0108; 90; 90; 90;

COD ID: 1559139

Formula: - C45 H50 Cu F3 N6 O2 -
Comments: 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)
Space group: P c a 21
Cell volume: 4024.7
Cell parameters: 19.77529; 13.53091; 15.04125; 90; 90; 90;

COD ID: 1559140

Formula: - C44 H50 Cu F3 N6 O3 S -
Comments: 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)
Space group: P c a 21
Cell volume: 4079.65
Cell parameters: 20.1211; 13.39232; 15.13962; 90; 90; 90;

COD ID: 1559270
CIF file	Formula: - C54 H77.78 B2 Ir2 O2 P4 - Comments: 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) Space group: P c a 21 Cell volume: 5385 Cell parameters: 18.4602; 18.1913; 16.0356; 90; 90; 90;

COD ID: 1559408
CIF file HKL data	Formula: - C12 H10 O6 - Comments: 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 5(10) (2020) x201391 Space group: P c a 21 Cell volume: 1078.05 Cell parameters: 25.006; 5.0337; 8.5646; 90; 90; 90;

COD ID: 1559548
CIF file	Formula: - C13 H15 Br F N O - Comments: 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) Space group: P c a 21 Cell volume: 2491.9 Cell parameters: 16.2421; 5.0967; 30.102; 90; 90; 90;

COD ID: 1559711
CIF file	Formula: - C17 H17 I O - Comments: 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 36 (2020) 45-46 Space group: P c a 21 Cell volume: 1447.33 Cell parameters: 13.569; 14.2212; 7.5004; 90; 90; 90;

COD ID: 1559739

Formula: - C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -
Comments: 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 8(2) (2021) 630-638
Space group: P c a 21
Cell volume: 8181.6
Cell parameters: 18.079; 30.1771; 14.9963; 90; 90; 90;

COD ID: 1559841
CIF file	Formula: - B9 Dy7 K3 Li3 O27 - Comments: 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 108 (2020) 106442 Space group: P c a 21 Cell volume: 2336.1 Cell parameters: 20.8225; 6.4118; 17.4976; 90; 90; 90;

COD ID: 1559842
CIF file	Formula: - B9 K3 Li3 O27 Tb7 - Comments: 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 108 (2020) 106442 Space group: P c a 21 Cell volume: 2362.46 Cell parameters: 20.9218; 6.442; 17.5285; 90; 90; 90;

COD ID: 1560190

Formula: - C9 H11 N O3 -
Comments: 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 12(2) (2020) 774-779
Space group: P c a 21
Cell volume: 836.28
Cell parameters: 10.2859; 10.6455; 7.6374; 90; 90; 90;

COD ID: 1560236

Formula: - C32 H43 Ba N6 O11 S2 -
Comments: 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 12(10) (2021) 3733-3742
Space group: P c a 21
Cell volume: 4162.08
Cell parameters: 17.6827; 10.4422; 22.5408; 90; 90; 90;

COD ID: 1560249

Formula: - C38 H44 O P2 -
Comments: 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 12(12) (2021) 4329-4337
Space group: P c a 21
Cell volume: 3237.18
Cell parameters: 11.3956; 15.6766; 18.1208; 90; 90; 90;

COD ID: 1560298

Formula: - C22 H21 B F2 N2 O2 -
Comments: 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 12(12) (2021) 4503-4508
Space group: P c a 21
Cell volume: 2104.8
Cell parameters: 12.6493; 9.244; 18.0005; 90; 90; 90;

COD ID: 1560409
CIF file	Formula: - B9 K3 Li3 O27 Y7 - Comments: Bräuchle, Sebastian; Huppertz, Hubert Synthesis and structural characterization of Li3K3Y7(BO3)9 Journal of Solid State Chemistry 253 (2017) 242-248 Space group: P c a 21 Cell volume: 2315.19 Cell parameters: 20.7431; 6.3873; 17.4741; 90; 90; 90;

COD ID: 1560484