Search results

Formula: - C18 H21 O6 -
Comments: Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis. Organic letters 11(18) (2009) 4120-4123
Space group: P 1 c 1
Cell volume: 772.5
Cell parameters: 7.4578; 15.834; 7.0431; 90; 111.745; 90;

COD ID: 1504739
CIF file	Formula: - C14 H13 N O4 - Comments: Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters. Organic letters 10(14) (2008) 3033-3036 Space group: P 1 c 1 Cell volume: 609.93 Cell parameters: 6.3701; 13.0956; 7.4352; 90; 100.464; 90;

COD ID: 1505038

Formula: - C35 H36 Cl2 N4 O2 Ru -
Comments: Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry 50(25) (2007) 6343-6355
Space group: P 1 c 1
Cell volume: 1606.3
Cell parameters: 9.872; 9.6208; 17.434; 90; 104.05; 90;

COD ID: 1505040

Formula: - C35 H36 Cl2 N4 O2 Os -
Comments: Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry 50(25) (2007) 6343-6355
Space group: P 1 c 1
Cell volume: 1608.3
Cell parameters: 9.876; 9.6263; 17.46; 90; 104.32; 90;

COD ID: 1506315

Formula: - C24 H17 Cl N2 O2 -
Comments: Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane. Organic letters 8(25) (2006) 5877-5879
Space group: P 1 c 1
Cell volume: 994.9
Cell parameters: 8.7336; 7.8955; 14.484; 90; 95.04; 90;

COD ID: 1506329

Formula: - C18.5 H15.5 Cl2 N7 O Re S2 -
Comments: Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides Bioconjugate Chemistry 16(4) (2005) 885
Space group: P 1 c 1
Cell volume: 2364.66
Cell parameters: 8.1375; 15.0204; 19.429; 90; 95.29; 90;

COD ID: 1506902
CIF file	Formula: - C9 H12 Cl2 O4 S2 - Comments: Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V. Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions. Organic letters 6(3) (2004) 437-440 Space group: P 1 c 1 Cell volume: 1229.01 Cell parameters: 9.9279; 7.8341; 15.8873; 90; 95.946; 90;

COD ID: 1507441
CIF file	Formula: - C24 H21 N2 O3 P S - Comments: Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle Organic Letters 4(11) (2002) 1835 Space group: P 1 c 1 Cell volume: 1120.8 Cell parameters: 9.76; 9.994; 12.081; 90; 107.99; 90;

COD ID: 1507569
CIF file	Formula: - C14 H15 N3 O - Comments: Ryabchuk, Pavel; Rubina, Marina; Xu, Jack; Rubin, Michael Formal nucleophilic substitution of bromocyclopropanes with azoles. Organic letters 14(7) (2012) 1752-1755 Space group: P 1 c 1 Cell volume: 620.52 Cell parameters: 13.1836; 5.4727; 8.6078; 90; 92.362; 90;

COD ID: 1507880
CIF file	Formula: - C51 H36 F6 Mn N4 Sb - Comments: Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro Manganese porphyrin catalyzed cycloisomerization of enynes. Organic letters 14(12) (2012) 3008-3011 Space group: P 1 c 1 Cell volume: 2181.6 Cell parameters: 10.575; 15.748; 13.296; 90; 99.848; 90;

COD ID: 1508613

Formula: - C37 H40 Ag F3 N8 O11 S -
Comments: Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution. Organic letters 14(17) (2012) 4576-4579
Space group: P 1 c 1
Cell volume: 2017.2
Cell parameters: 13.3597; 11.0412; 18.9587; 90; 133.837; 90;

COD ID: 1509964
CIF file	Formula: - Ag7 Nb S6 - Comments: Onoda, M.; Wada, H.; Ishii, M.; Tansho, M. Crystal structures of low-temperature phases (phase II) of ionic conductors Ag7 Ta S6 and Ag7 Nb S6 Journal of Alloys Compd. 262 (1997) 39-44 Space group: P 1 c 1 Cell volume: 1148.12 Cell parameters: 7.368; 14.77; 12.768; 90; 124.28; 90;

COD ID: 1510497
CIF file	Formula: - Au3 F22 Sb3 - Comments: Hwang, I.-C.; Seppelt, K. The reduction of Au F3 in super acidic solution Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 765-769 Space group: P 1 c 1 Cell volume: 1624.51 Cell parameters: 9.9908; 10.7278; 15.2221; 90; 95.304; 90;

COD ID: 1512167
CIF file	Formula: - C18 H12 N2 O - Comments: Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides. Organic letters 15(15) (2013) 3820-3823 Space group: P 1 c 1 Cell volume: 659.07 Cell parameters: 5.4055; 9.6991; 12.7818; 90; 100.422; 90;

COD ID: 1512281
CIF file	Formula: - C9 H11 B F3 N O4 - Comments: Duncton, Matthew A. J.; Singh, Rajinder Synthesis of trans-2-(Trifluoromethyl)cyclopropanes via Suzuki Reactions with an N-Methyliminodiacetic Acid Boronate. Organic letters 15(17) (2013) 4284-4287 Space group: P 1 c 1 Cell volume: 2263.5 Cell parameters: 21.215; 10.0689; 10.6637; 90; 96.454; 90;

COD ID: 1512693

Formula: - C10 H14 N2 O4 Pt -
Comments: Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand) Inorganica Chimica Acta 393 (2012) 65-76
Space group: P 1 c 1
Cell volume: 605
Cell parameters: 7.27; 12.841; 7.602; 90; 121.52; 90;

COD ID: 1512716
CIF file	Formula: - C39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru S - Comments: Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand Inorganica Chimica Acta 393 (2012) 171-175 Space group: P 1 c 1 Cell volume: 2295.1 Cell parameters: 8.8334; 14.049; 18.822; 90; 100.719; 90;

COD ID: 1512926
CIF file	Formula: - C5 H20 Br3 La O5 - Comments: Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron 29(7) (2010) 1784-1795 Space group: P 1 c 1 Cell volume: 1536 Cell parameters: 10.1803; 14.794; 10.6387; 90; 106.532; 90;

COD ID: 1513170
CIF file	Formula: - C8 H10 N5 O - Comments: Ivanova, Bojidarka; Spiteller, Michael A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides Ecotoxicology and Environmental Safety 91 (2013) 86-95 Space group: P 1 c 1 Cell volume: 918.2 Cell parameters: 16.512; 5.3679; 10.385; 90; 94.041; 90;

COD ID: 1513814

Formula: - C17 H18 F N O2 S -
Comments: Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines. Organic letters 16(5) (2014) 1442-1445
Space group: P 1 c 1
Cell volume: 1505.9
Cell parameters: 6.1325; 7.0271; 34.947; 90; 90.605; 90;

COD ID: 1514504

Formula: - C15 H33 Cl N5 Ni O6 -
Comments: Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand. Chemical science (Royal Society of Chemistry : 2010) 4(4) (2013) 1502-1508
Space group: P 1 c 1
Cell volume: 1047.7
Cell parameters: 7.7299; 7.7263; 17.8514; 90; 100.673; 90;

COD ID: 1514884
CIF file	Formula: - C23 H26 N4 O2 - Comments: Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry 4(4) (2013) 904 Space group: P 1 c 1 Cell volume: 6005 Cell parameters: 17.848; 16.102; 22.302; 90; 110.45; 90;

COD ID: 1514982

Formula: - C28 H22 Co O5 Pt S4 -
Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602
Space group: P 1 c 1
Cell volume: 2969
Cell parameters: 11.3784; 11.822; 22.0722; 90; 90.429; 90;

COD ID: 1515307
CIF file	Formula: - C209 H338 Ag16 Cl18 I32 N16 - Comments: Xu, Biao; Wang, Ruji; Wang, Xun Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI. Nanoscale 4(8) (2012) 2713-2719 Space group: P 1 c 1 Cell volume: 7559 Cell parameters: 12.263; 24.775; 24.888; 90; 91.51; 90;

COD ID: 1515339

Formula: - C16 H12 O S6 -
Comments: Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J. Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit Polymer Chemistry 3(8) (2012) 2277
Space group: P 1 c 1
Cell volume: 1744.7
Cell parameters: 22.338; 4.7901; 17.757; 90; 113.326; 90;

COD ID: 1515860
CIF file	Formula: - C52 H50 O4 - Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102 Space group: P 1 c 1 Cell volume: 4254.73 Cell parameters: 12.9195; 26.1804; 13.8321; 90; 114.575; 90;

COD ID: 1516180

Formula: - C60 H30 Cl8 O4 -
Comments: Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 5(10) (2006) 914-924
Space group: P 1 c 1
Cell volume: 4613.4
Cell parameters: 8.3157; 38.967; 14.2436; 90; 91.718; 90;

COD ID: 1516365

Formula: - C6 H5 N5 O6 -
Comments: Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure. The journal of physical chemistry. A 113(11) (2009) 2551-2560
Space group: P 1 c 1
Cell volume: 435.8
Cell parameters: 7.309; 5.169; 11.583; 90; 95.22; 90;

COD ID: 1516519

Formula: - C16 H16 N2 O5 -
Comments: Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L. Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations. The journal of physical chemistry. B 118(24) (2014) 6803-6814
Space group: P 1 c 1
Cell volume: 1536.2
Cell parameters: 10.838; 11.225; 13.268; 90; 107.879; 90;

COD ID: 1516612
CIF file	Formula: - C17 H11 F O2 - Comments: Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences 1(10) (2002) 799 Space group: P 1 c 1 Cell volume: 634 Cell parameters: 6.879; 3.929; 23.459; 90; 90.35; 90;

COD ID: 1516906
CIF file	Formula: - C12 H9 Br2 O4 P - Comments: Payal Malik; Debashis Chakraborty Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters Inorganica Chimica Acta 400 (2013) 32-41 Space group: P 1 c 1 Cell volume: 685.3 Cell parameters: 11.7769; 4.7093; 13.1053; 90; 109.462; 90;

COD ID: 1516952
CIF file	Formula: - C72 H64 N2 O10 P2 S4 Sn2 - Comments: Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core Inorganica Chimica Acta 400 (2013) 228-238 Space group: P 1 c 1 Cell volume: 3326.48 Cell parameters: 13.7321; 10.5102; 23.2601; 90; 97.74; 90;

COD ID: 1517605
CIF file	Formula: - C30 H26 N2 O10 Zn2 - Comments: Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang Influential factors on assembly of first-row transition metal coordination polymers Inorganica Chimica Acta 403 (2013) 53-62 Space group: P 1 c 1 Cell volume: 1382.71 Cell parameters: 7.1781; 14.0979; 16.0641; 90; 121.726; 90;

COD ID: 1517912

Formula: - C32 H24 As F3 O -
Comments: Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T. Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones. Organic letters 16(19) (2014) 5132-5135
Space group: P 1 c 1
Cell volume: 2547
Cell parameters: 12.3316; 10.387; 20.2159; 90; 100.383; 90;

COD ID: 1518095
CIF file	Formula: - C8 H6 K4 O20 Ru2 - Comments: Deloume, J. P.; Duc, G.; Faure, R.; Thomas-David, G. Revue de Chimie Minerale 22 (1985) 728-738 Space group: P 1 c 1 Cell volume: 992.7 Cell parameters: 6.966; 12.248; 14.79; 90; 128.12; 90;

COD ID: 1519057
CIF file	Formula: - C H2 O7 P2 Sb2 - Comments: Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham On the synthesis and characterization of open-framework antimony(III) diphosphonates Solid State Sciences 2 (2000) 119-126 Space group: P 1 c 1 Cell volume: 376.59 Cell parameters: 4.6935; 7.2515; 11.1025; 90; 94.724; 90;

COD ID: 1519533
CIF file	Formula: - C24 H14 Br2 Fe O2 - Comments: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B. C24H14Br2FeO2 Crystal Structure Report Archive (2003) 917 Space group: P 1 c 1 Cell volume: 1900.42 Cell parameters: 15.9575; 8.8522; 13.7492; 90; 101.905; 90;

COD ID: 1520589
CIF file	Formula: - C45 H70 Th - Comments: Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci. 6(8) (2015) 4897 Space group: P 1 c 1 Cell volume: 2001 Cell parameters: 12.658; 10.48; 18.889; 90; 127; 90;

COD ID: 1520626

Formula: - C49 H80 F N O7 -
Comments: Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci. 6(9) (2015) 5293
Space group: P 1 c 1
Cell volume: 2465.93
Cell parameters: 8.7551; 12.7463; 22.1115; 90; 92.0698; 90;

COD ID: 1521926
CIF file	Formula: - Bi2 I9 Rb3 - Comments: Sidey, V.I.; Voroshilov, Yu.V.; Kun, S.V.; Peresh, E.Yu. Crystal growth and X-ray structure determination of Rb3 Bi2 I9 Journal of Alloys Compd. 296 (2000) 53-58 Space group: P 1 c 1 Cell volume: 2516.82 Cell parameters: 14.69; 8.195; 25.645; 90; 125.39; 90;

COD ID: 1521989
CIF file	Formula: - La Te2 - Comments: Stoewe, K. Crystal structure and electronic band structure of La Te2 Journal of Solid State Chemistry 149 (2000) 155-166 Space group: P 1 c 1 Cell volume: 759.098 Cell parameters: 9.19; 9.107; 9.07; 90; 90.04; 90;

COD ID: 1528386

Formula: - C6 H24 Cl9 N3 Sb2 -
Comments: Bujak, M.; Angel, R.J. Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition Journal of Solid State Chemistry 178 (2005) 2237-2246
Space group: P 1 c 1
Cell volume: 1186.58
Cell parameters: 9.359; 9.0097; 14.1308; 90; 95.229; 90;

COD ID: 1528387

Formula: - C9 H30 Cl9 N3 Sb2 -
Comments: Bujak, M.; Angel, R.J. Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition Journal of Solid State Chemistry 178 (2005) 2237-2246
Space group: P 1 c 1
Cell volume: 1357.18
Cell parameters: 9.8652; 9.1129; 15.0964; 90; 89.988; 90;

COD ID: 1529951
CIF file	Formula: - Mo8 O23 - Comments: Fujishita, H.; Sato, M.; Sato, S.; Hoshino, S. Structure determination of low-dimensional conductor Mo8 O23 Journal of Solid State Chemistry 66 (1987) 40-46 Space group: P 1 c 1 Cell volume: 1745.21 Cell parameters: 13.39; 8.062; 16.82; 90; 106.02; 90;

COD ID: 1534364
CIF file	Formula: - Cs2 Mg2 O18 P6 - Comments: Chudinova, N.N.; Murashova, E.V.; Ilyukhin, A.B. Double cyclohexaphosphates of cesium and divalent metals Neorganicheskie Materialy 39 (2003) 1499-1503 Space group: P 1 c 1 Cell volume: 2617.76 Cell parameters: 18.243; 12.023; 12.021; 90; 96.86; 90;

COD ID: 1534966
CIF file	Formula: - Al I7 Te - Comments: Beck, J.; Fischer, A. Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1042-1046 Space group: P 1 c 1 Cell volume: 819.026 Cell parameters: 7.3187; 7.3084; 15.655; 90; 102.01; 90;

COD ID: 1534969
CIF file	Formula: - Al Br7 Se - Comments: Beck, J.; Fischer, A. Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1042-1046 Space group: P 1 c 1 Cell volume: 623.725 Cell parameters: 6.707; 6.639; 14.28; 90; 101.21; 90;

COD ID: 1535029
CIF file	Formula: - C3 Cl7 Mo O S2 - Comments: Beck, J.; Koch, M. Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 394-398 Space group: P 1 c 1 Cell volume: 654.888 Cell parameters: 8.1616; 10.0527; 8.4484; 90; 109.128; 90;

COD ID: 1535441
CIF file	Formula: - Ga9 Ir2 - Comments: Bostroem, M.; Grin', Yu.; Rosner, H.; Prots', Yu.M.; Burkhardt, U. The Co2 Al9 structure type revisited Zeitschrift fuer Anorganische und Allgemeine Chemie 631 (2005) 534-541 Space group: P 1 c 1 Cell volume: 362.478 Cell parameters: 6.4329; 6.4099; 8.8068; 90; 93.464; 90;

COD ID: 1535448
CIF file	Formula: - Ga9 Rh2 - Comments: Bostroem, M.; Rosner, H.; Prots', Yu.M.; Burkhardt, U.; Grin', Yu. The Co2 Al9 structure type revisited Zeitschrift fuer Anorganische und Allgemeine Chemie 631 (2005) 534-541 Space group: P 1 c 1 Cell volume: 360.782 Cell parameters: 6.4164; 6.4119; 8.7847; 90; 93.39; 90;

COD ID: 1535893
CIF file	Formula: - Er K3 O12 S3 - Comments: Iskhakova, L.D.; Gasanov, Yu.M. Double sulfates M3TR(SO4)3 (M=K, Rb) with frame-structure Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 32 (1991) 110-115 Space group: P 1 c 1 Cell volume: 1141.24 Cell parameters: 9.222; 14.688; 9.008; 90; 110.72; 90;

COD ID: 1536433
CIF file	Formula: - Cl8 Mo2 N - Comments: Dinh, Q.T.; Straehle, J.; Richter, M.; 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 1 c 1 Cell volume: 1092.75 Cell parameters: 9.9605; 6.294; 17.808; 90; 101.817; 90;

COD ID: 1536732
CIF file	Formula: - As2 Ba - Comments: Emmerling, F.; Petri, D.; Roehr, C. Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2490-2501 Space group: P 1 c 1 Cell volume: 521.739 Cell parameters: 6.5503; 12.532; 8.038; 90; 127.747; 90;

COD ID: 1537109
CIF file	Formula: - C2 H14 Cl2 N10 Ni O14 - Comments: Romanenko, G.V.; Podberezskaya, N.V. Crystal structure of perchlorate diaquabis(nitroamidoguanidin)nickel(II) (Ni (C H5 N5 O2)2 (H2 O)2) (Cl O4)2. Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 33 (1992) 141-145 Space group: P 1 c 1 Cell volume: 1644.45 Cell parameters: 8.336; 16.113; 12.243; 90; 90.01; 90;

COD ID: 1537568

Formula: - Cr4 K2 O13 -
Comments: Kuz'min, E.A.; Golovachev, V.P.; Belov, N.V.; Kharitonov, Yu.A. Systematic analysis of the patterson function on the basis of crystal symmetry. III. Application to analysis of the crystal structure of potassium tetrachromate Kristallografiya 17 (1972) 929-933
Space group: P 1 c 1
Cell volume: 615.331
Cell parameters: 8.71; 7.55; 9.37; 90; 93; 90;

COD ID: 1538511
CIF file	Formula: - As2 H16 O20 Sr U2 - Comments: Pushcharovskii, D.Yu.; Suleimanov, E.V.; Barinova, A.V.; Pasero, M.; Merlino, S.; Alekseev, E.V. Crystal structure of Sr (As U O6)2 (H2 O)8 Kristallografiya 48 (2003) 246-249 Space group: P 1 c 1 Cell volume: 959.139 Cell parameters: 7.154; 7.101; 18.901; 90; 92.67; 90;

COD ID: 1541516
CIF file	Formula: - C26 H60 Cl9 N11 Nb6 O6.865 - Comments: Naumov, N.G.; Cordier, S.; Perrin, C. Two (Nb6 Cl9 O3 (C N)6)(5-) isomer anions in two Nb6 cluster oxyhalides: Cs5 (Nb6 Cl9 O3 (C N)6) * 4(H2 O) and (Me4 N)5 (Nb6 Cl9 O3 (C N)6) * 5(H2 O) Angew. Chem. Int. ed. 41 (2002) 3002-3004 Space group: P 1 c 1 Cell volume: 5761.13 Cell parameters: 12.279; 12.648; 37.695; 90; 100.231; 90;

COD ID: 1541669

Formula: - C4 H15 N O8 P2 Zn -
Comments: Wiebcke, M.; Marler, B. Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures Solid State Sciences 6 (2004) 213-223
Space group: P 1 c 1
Cell volume: 1189.9
Cell parameters: 8.457; 13.812; 10.189; 90; 91.2; 90;

COD ID: 1541787
CIF file	Formula: - Ba2 K O15 P5 - Comments: Martin, C.; Tordjman, I.; Mitschler, A. Barium potassium polyphosphate, Ba2 K (P O3)5 Crystal Structure Communications 1 (1972) 349-352 Space group: P 1 c 1 Cell volume: 682.072 Cell parameters: 8.646; 7.329; 13.884; 90; 129.17; 90;

COD ID: 1541839
CIF file	Formula: - C H6 N6 O5 - Comments: Gilardi, R. D.; Butcher, R. J. A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide Journal of Chemical Crystallography 32(11) (2002) 477-484 Space group: P 1 c 1 Cell volume: 353.973 Cell parameters: 7.098; 3.516; 14.358; 90; 98.94; 90;

COD ID: 1542276
CIF file	Formula: - C25 H28 N4 O5 S - Comments: Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles Chem. Sci. 7(3) (2016) 2302 Space group: P 1 c 1 Cell volume: 4800.6 Cell parameters: 7.4546; 18.7124; 34.4314; 90; 91.776; 90;

COD ID: 1542572

Formula: - C23 H18 O3 -
Comments: Han, Ting; Deng, Haiqin; Yu, Chris Y. Y.; Gui, Chen; Song, Zhegang; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong Functional isocoumarin-containing polymers synthesized by rhodium-catalyzed oxidative polycoupling of aryl diacid and internal diyne Polym. Chem. 7(14) (2016) 2501
Space group: P 1 c 1
Cell volume: 845.67
Cell parameters: 5.82646; 9.44106; 15.616; 90; 100.11; 90;

COD ID: 1542784
CIF file	Formula: - C39 H46 N6 O7 - Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408 Space group: P 1 c 1 Cell volume: 1826.6 Cell parameters: 9.076; 8.9616; 22.501; 90; 93.554; 90;

COD ID: 1543122

Formula: - C22 H17 Br2 F N2 O2 -
Comments: Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers Polym. Chem. 7(19) (2016) 3311
Space group: P 1 c 1
Cell volume: 969.9
Cell parameters: 12.99; 4.2334; 17.997; 90; 101.476; 90;

COD ID: 1543435

Formula: - C22 H12 O2 -
Comments: Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings Chem. Sci. 7(9) (2016) 6176
Space group: P 1 c 1
Cell volume: 702.52
Cell parameters: 13.9587; 3.8076; 14.2557; 90; 111.997; 90;

COD ID: 1544144

Formula: - C14 H15 N3 O4 -
Comments: Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G. 2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium IUCrData 1(9) (2016) x161433
Space group: P 1 c 1
Cell volume: 699.59
Cell parameters: 13.856; 4.5401; 11.926; 90; 111.173; 90;

COD ID: 1544309

Formula: - C23 H17 N3 O -
Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A. (E)-N'-Benzylidene-2-phenylquinoline-4-carbohydrazide IUCrData 1(10) (2016) x161544
Space group: P 1 c 1
Cell volume: 882.42
Cell parameters: 7.6704; 13.2898; 9.0627; 90; 107.22; 90;

COD ID: 1544348
CIF file	Formula: - C11 H17 N O Si - Comments: Liu, Pei; Tang, Jinghua; Zeng, Xiaoming Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides. Organic letters 18(21) (2016) 5536-5539 Space group: P 1 c 1 Cell volume: 1242.5 Cell parameters: 10.178; 10.104; 12.72; 90; 108.216; 90;

COD ID: 1544424
CIF file	Formula: - C16 H12 F N O3 - Comments: Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement. Organic letters 18(22) (2016) 5804 Space group: P 1 c 1 Cell volume: 1349.8 Cell parameters: 8.5173; 5.5799; 28.549; 90; 95.813; 90;

COD ID: 1544827
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2547.75 Cell parameters: 19.4439; 7.6801; 19.4527; 90; 118.711; 90;

COD ID: 1544828
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2555.3 Cell parameters: 19.459; 7.6795; 19.492; 90; 118.687; 90;

COD ID: 1544829
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2567.23 Cell parameters: 19.4906; 7.6827; 19.5367; 90; 118.651; 90;

COD ID: 1544830
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2583.4 Cell parameters: 19.513; 7.6986; 19.589; 90; 118.61; 90;

COD ID: 1544831
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2587.4 Cell parameters: 19.52; 7.7018; 19.601; 90; 118.593; 90;

COD ID: 1544832
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2591.8 Cell parameters: 19.527; 7.7049; 19.617; 90; 118.58; 90;

COD ID: 1544833
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2595.6 Cell parameters: 19.53; 7.7094; 19.629; 90; 118.57; 90;

COD ID: 1544834
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2598.9 Cell parameters: 19.533; 7.7136; 19.638; 90; 118.556; 90;

COD ID: 1544835
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2603.4 Cell parameters: 19.539; 7.718; 19.652; 90; 118.54; 90;

COD ID: 1544836
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2608.1 Cell parameters: 19.544; 7.7236; 19.666; 90; 118.528; 90;

COD ID: 1544837
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2616.6 Cell parameters: 19.557; 7.7351; 19.684; 90; 118.51; 90;

COD ID: 1544838
CIF file	Formula: - C10 H16 I N O3 - Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016) Space group: P 1 c 1 Cell volume: 2618 Cell parameters: 19.559; 7.7357; 19.689; 90; 118.499; 90;

COD ID: 1545005
CIF file	Formula: - C301 H348 N8 O17 Zn - Comments: Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L. Porphyrin-Polyyne [3]- and [5]Rotaxanes. Organic letters 19(2) (2017) 348-351 Space group: P 1 c 1 Cell volume: 30787.9 Cell parameters: 31.7209; 19.3373; 50.4748; 90; 96.0619; 90;

COD ID: 1545420
CIF file	Formula: - C31 H44 N O Sc Si2 - Comments: Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism Macromolecules 50(3) (2017) 849 Space group: P 1 c 1 Cell volume: 1569.5 Cell parameters: 9.3221; 14.4831; 11.779; 90; 99.289; 90;

COD ID: 1545515

Formula: - C16 H16 I2 -
Comments: Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci. 8(5) (2017) 3547
Space group: P 1 c 1
Cell volume: 1626.35
Cell parameters: 8.4867; 11.5788; 16.5698; 90; 92.762; 90;

COD ID: 1545834
CIF file Original IUCr paper	Formula: - C10 H13 N5 O4 S2 - Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160 Space group: P 1 c 1 Cell volume: 2124 Cell parameters: 11.3972; 18.1641; 10.338; 90; 97.046; 90;

COD ID: 1546210
CIF file	Formula: - C15 H20 O3 - Comments: Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang Toward the Total Synthesis of Eurifoloid A. Organic letters 19(10) (2017) 2742-2745 Space group: P 1 c 1 Cell volume: 1282.8 Cell parameters: 9.198; 9.442; 15.292; 90; 104.995; 90;

COD ID: 1546515

Formula: - C38.5 H36 Cl N3 O3 P2 Ru -
Comments: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol. (2017)
Space group: P 1 c 1
Cell volume: 3807.6
Cell parameters: 16.1179; 16.1688; 15.2936; 90; 107.19; 90;

COD ID: 1546818

Formula: - C37 H22 F3 Fe I4 N5 O2 -
Comments: Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc Photoinduced reversible spin-state switching of an Fe III complex assisted by a halogen-bonded supramolecular network Chemical Communications 53(74) (2017) 10283-10286
Space group: P 1 c 1
Cell volume: 1862.1
Cell parameters: 8.447; 11.738; 19.66; 90; 107.207; 90;

COD ID: 1546819

Formula: - C38 H22 F3 Fe I4 N4 O2 -
Comments: Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc Photoinduced reversible spin-state switching of an Fe III complex assisted by a halogen-bonded supramolecular network Chemical Communications 53(74) (2017) 10283-10286
Space group: P 1 c 1
Cell volume: 1810.24
Cell parameters: 8.3692; 11.5822; 19.5061; 90; 106.785; 90;

COD ID: 1548573

Formula: - C14.5 H13 B Cl1.5 D0.5 F6 N2 O -
Comments: Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science 9(4) (2018) 1058-1072
Space group: P 1 c 1
Cell volume: 1695.95
Cell parameters: 11.75; 11.0269; 13.1973; 90; 97.3307; 90;

COD ID: 1548662

Formula: - C20 H24 B5 Hf2 -
Comments: De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal [(Cp2M)2B9H11] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding. Chemical science 9(7) (2018) 1976-1981
Space group: P 1 c 1
Cell volume: 1075.33
Cell parameters: 9.3061; 7.8838; 14.9171; 90; 100.72; 90;

COD ID: 1549666

Formula: - C17 H12 O4 -
Comments: Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel 2-Oxo-2H-chromen-7-yl 4-methylbenzoate IUCrData 3(7) (2018) x180927
Space group: P 1 c 1
Cell volume: 665.09
Cell parameters: 5.7029; 4.0346; 28.9081; 90; 90.751; 90;

COD ID: 1550191
CIF file	Formula: - C52 H56 Co N5 Ni - Comments: Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science (2019) Space group: P 1 c 1 Cell volume: 2167.1 Cell parameters: 11.6597; 16.9613; 12.2584; 90; 116.63; 90;

COD ID: 1550844

Formula: - C24 H18 N4 -
Comments: Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng 4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine IUCrData 4(4) (2019) x190295
Space group: P 1 c 1
Cell volume: 2730.8
Cell parameters: 12.8109; 19.708; 11.4152; 90; 108.649; 90;

COD ID: 1550880

Formula: - C21 H25 Cl N2 O4 -
Comments: Wang, Ruiyao; Aquino, Manuel A.S. 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate IUCrData 4(4) (2019) x190494
Space group: P 1 c 1
Cell volume: 2088.14
Cell parameters: 8.4771; 16.0726; 15.7922; 90; 103.958; 90;

COD ID: 1552415
CIF file	Formula: - C14 H23 N2 O2 P Se2 - Comments: Newton, Turner; Pluth, Michael D. Development of a Hydrolysis-Based Small-Molecule Hydrogen Selenide (H2Se) Donor Chemical Science (2019) Space group: P 1 c 1 Cell volume: 3486.89 Cell parameters: 12.50104; 9.28018; 30.05829; 90; 90.652; 90;

COD ID: 1553070

Formula: - C21 H21 N3 O -
Comments: Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers 2(4) (2015) 312
Space group: P 1 c 1
Cell volume: 862.43
Cell parameters: 18.2723; 5.5654; 8.7266; 90; 103.633; 90;

COD ID: 1553090
CIF file	Formula: - C37 H20 B2 Cl2 F20 N2 - Comments: Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W. A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis. Chemical science 6(3) (2015) 2010-2015 Space group: P 1 c 1 Cell volume: 1849.9 Cell parameters: 10.6012; 10.7318; 16.8601; 90; 105.327; 90;

COD ID: 1553468

Formula: - C14 H15 Cl N2 Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P 1 c 1
Cell volume: 1322.9
Cell parameters: 9.4647; 12.7252; 11.5908; 90; 108.624; 90;

COD ID: 1553645
CIF file	Formula: - C25 H30 B2 F10 N6 Zn - Comments: Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science 8(3) (2017) 2448-2456 Space group: P 1 c 1 Cell volume: 2788.61 Cell parameters: 13.6092; 14.5112; 14.1222; 90; 90.875; 90;

COD ID: 1553933
CIF file	Formula: - C10 H15 N O3 - Comments: Peter, Clovis; Geoffroy, Philippe; Miesch, Michel Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids Organic Chemistry Frontiers 5(4) (2018) 566 Space group: P 1 c 1 Cell volume: 499.16 Cell parameters: 9.9528; 5.6608; 10.1737; 90; 119.444; 90;

COD ID: 1554398

Formula: - C23 H29 N O7 -
Comments: Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V. Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor‒acceptor cyclopropanes Organic Chemistry Frontiers 5(19) (2018) 2829
Space group: P 1 c 1
Cell volume: 1110.38
Cell parameters: 7.0556; 15.3824; 10.7866; 90; 108.471; 90;

COD ID: 1554522

Formula: - C18 H20 N O3 P -
Comments: Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines Organic Chemistry Frontiers 6(3) (2019) 393
Space group: P 1 c 1
Cell volume: 850.7
Cell parameters: 7.6453; 11.642; 9.808; 90; 102.969; 90;

COD ID: 1554533
CIF file	Formula: - C19 H15 N O2 - 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 1 c 1 Cell volume: 1428.93 Cell parameters: 21.0827; 8.2829; 8.2169; 90; 95.222; 90;

COD ID: 1554819
CIF file	Formula: - C24 H31 Ag F6 N2 P2 - Comments: Chen, Daoqian; Lu, Long; Shen, Qilong [Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates Organic Chemistry Frontiers 6(11) (2019) 1801 Space group: P 1 c 1 Cell volume: 2651.01 Cell parameters: 15.277; 8.0788; 21.7171; 90; 98.481; 90;

COD ID: 1555079

Formula: - C16 H13 N O3 -
Comments: He, Guangke; Li, Yuan; Yu, Zilun; Chen, Zhaoqiang; Tang, Yongming; Song, Guangliang; Loh, Teck-Peng Selectfluor™-catalyzed oxidative cyclization of ynamides enables facile synthesis of oxazolidine-2,4-diones Organic Chemistry Frontiers 6(21) (2019) 3644
Space group: P 1 c 1
Cell volume: 668.92
Cell parameters: 14.099; 5.2916; 9.1495; 90; 101.496; 90;

COD ID: 1555433
CIF file	Formula: - C19 H18 F3 N O2 S - Comments: Zhu, Zi-Zhong; Chen, Kai; Yu, Liu-Zhu; Tang, Xiang-Ying; Shi, Min Copper(I)-Catalyzed Intramolecular Trifluoromethylation of Methylenecyclopropanes. Organic letters 17(24) (2015) 5994-5997 Space group: P 1 c 1 Cell volume: 897.8 Cell parameters: 8.9711; 9.9056; 10.1296; 90; 94.135; 90;

COD ID: 1555537
CIF file	Formula: - C46 H39 Au2 F6 N O5 P2 S3 - Comments: Tamai, Taichi; Fujiwara, Keiko; Higashimae, Shinya; Nomoto, Akihiro; Ogawa, Akiya Gold-Catalyzed Anti-Markovnikov Selective Hydrothiolation of Unactivated Alkenes. Organic letters 18(9) (2016) 2114-2117 Space group: P 1 c 1 Cell volume: 4711.4 Cell parameters: 14.011; 16.7528; 20.7802; 90; 105.001; 90;

COD ID: 1555834
CIF file	Formula: - C9 H6 O5 - Comments: Dwight, Stephen J.; Levin, Sergiy Scalable Regioselective Synthesis of Rhodamine Dyes. Organic letters 18(20) (2016) 5316-5319 Space group: P 1 c 1 Cell volume: 786.75 Cell parameters: 7.26017; 9.48057; 11.4368; 90; 91.943; 90;

COD ID: 1556107

Formula: - C27 H40 O Si2 Sn -
Comments: Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R. Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne. Organic letters 5(21) (2003) 3971-3974
Space group: P 1 c 1
Cell volume: 2965.2
Cell parameters: 11.8381; 11.6026; 22.301; 90; 104.522; 90;

COD ID: 1556196
CIF file	Formula: - C29 H31 B N2 O2 - Comments: Shaban Ragab, Sherif; Swaminathan, Subramani; Deniz, Erhan; Captain, Burjor; Raymo, Françisco M Fluorescence photoactivation by ligand exchange around the boron center of a BODIPY chromophore. Organic letters 15(12) (2013) 3154-3157 Space group: P 1 c 1 Cell volume: 1226.66 Cell parameters: 11.3125; 9.5581; 12.1929; 90; 111.496; 90;

COD ID: 1557027
CIF file	Formula: - C66 H30 Al3 Ba F89 O9 - Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076 Space group: P 1 c 1 Cell volume: 9468.1 Cell parameters: 28.173; 16.4313; 20.453; 90; 90.107; 90;

COD ID: 1559370
CIF file	Formula: - C24 H21 O3 P - Comments: Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science (2020) Space group: P 1 c 1 Cell volume: 961.9 Cell parameters: 6.2565; 9.4325; 16.395; 90; 96.178; 90;

COD ID: 1559720

Formula: - C36 H54 N2 Si Zn -
Comments: Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science 11(46) (2020) 12446-12452
Space group: P 1 c 1
Cell volume: 1705.28
Cell parameters: 8.5961; 10.5095; 19.1188; 90; 99.139; 90;

COD ID: 1559777

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 c 1
Cell volume: 2114.48
Cell parameters: 19.0865; 6.767; 17.3518; 90; 109.354; 90;

COD ID: 1559856

Formula: - C30 H50 B2 N2 Ni O2 P2 -
Comments: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H2. Chemical science 12(7) (2020) 2540-2548
Space group: P 1 c 1
Cell volume: 1590.82
Cell parameters: 9.294; 15.3277; 11.7365; 90; 107.92; 90;

COD ID: 1559949

Formula: - C10 H34 I12 N4 Pb3 -
Comments: Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science 12(8) (2021) 3050-3054
Space group: P 1 c 1
Cell volume: 2162.65
Cell parameters: 27.3848; 9.0015; 8.8216; 90; 95.999; 90;

COD ID: 1560209

Formula: - C63 H66 Cu3 N9 -
Comments: Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science 12(12) (2021) 4425-4431
Space group: P 1 c 1
Cell volume: 5656.66
Cell parameters: 11.4093; 28.8937; 17.7109; 90; 104.338; 90;

COD ID: 1561085
CIF file	Formula: - C27 H29 B O - Comments: Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids Chemical Science 12(16) (2021) 5898-5909 Space group: P 1 c 1 Cell volume: 2237.26 Cell parameters: 16.902; 9.4331; 15.2863; 90; 113.371; 90;

COD ID: 1561395
CIF file	Formula: - C43 H28 Ag2 N4 O10 - Comments: Wu, Xue-Qian; Wen, Guo-Xuan; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng A novel 3D Ag(I)-MOF: Surfactant-directed syntheses and catalytic degradation of o/m/p-Nitrophenol Journal of Solid State Chemistry 242 (2016) 243-247 Space group: P 1 c 1 Cell volume: 1826.6 Cell parameters: 10.954; 9.664; 17.412; 90; 97.711; 90;

COD ID: 1562167

Formula: - C16 H13 F O2 S -
Comments: McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A. Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes via directed bridgehead functionalization. Chemical science 12(21) (2021) 7480-7485
Space group: P 1 c 1
Cell volume: 1340.42
Cell parameters: 7.5201; 6.1363; 29.1109; 90; 93.778; 90;

COD ID: 1562429

Formula: - C15 H14 Co F6 N2 P -
Comments: Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno (Cobaltoceniumylamido)pyridinium hexafluoridophosphate IUCrData 6(5) (2021)
Space group: P 1 c 1
Cell volume: 826.59
Cell parameters: 9.961; 8.9243; 9.7204; 90; 106.943; 90;

COD ID: 1562553
CIF file	Formula: - C15 H11 B Br N O2 - Comments: Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James Zinc catalysed electrophilic C-H borylation of heteroarenes Chemical Science (2021) Space group: P 1 c 1 Cell volume: 655.53 Cell parameters: 11.8776; 4.6452; 12.931; 90; 113.246; 90;

COD ID: 1563506

Formula: - C19 H15 N3 O8 -
Comments: Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C. Pyridinium 3-nitrobenzoate‒3-nitrobenzoic acid (1/1) IUCrData 6(6) (2021) x210581
Space group: P 1 c 1
Cell volume: 917.92
Cell parameters: 6.2434; 21.3584; 6.8938; 90; 93.118; 90;

COD ID: 1563533

Formula: - C8 H22 Cl8 Cr2 N2 -
Comments: Ai, Yong; Sun, Rong; Zeng, Yu-Ling; Liu, Jun-Chao; Tang, Yuan-Yuan; Wang, Bing-Wu; Wang, Zheming; Gao, Song; Xiong, Ren-Gen Coexistence of Magnetic and Electric Orderings in a Divalent Cr2±Based Multiaxial Molecular Ferroelectric Chemical Science (2021)
Space group: P 1 c 1
Cell volume: 969
Cell parameters: 6.6436; 9.1155; 16.003; 90; 90.97; 90;

COD ID: 1563811
CIF file	Formula: - C57 H47 B D6 F10 N P - Comments: Fischer, Malte; Hering-Junghans, Christian On 1,3-Phosphaazaallenes and their Diverse Reactivity Chemical Science (2021) Space group: P 1 c 1 Cell volume: 2471.3 Cell parameters: 10.5963; 10.7434; 21.9612; 90; 98.703; 90;

COD ID: 1564296
CIF file	Formula: - C14 H17 Co N9 O7 - Comments: Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand Inorganica Chimica Acta 510 (2020) 119753 Space group: P 1 c 1 Cell volume: 1997.2 Cell parameters: 15.3466; 8.6064; 16.288; 90; 111.816; 90;

COD ID: 1564327
CIF file	Formula: - C13 H14 F4 O2 S - Comments: Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes Chemical Science (2021) Space group: P 1 c 1 Cell volume: 1368.85 Cell parameters: 11.1315; 8.3917; 15.5384; 90; 109.425; 90;

COD ID: 1564384
CIF file	Formula: - C36.32 H47.29 N4 O3.32 - Comments: Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity Chemical Science (2021) Space group: P 1 c 1 Cell volume: 3409.9 Cell parameters: 12.2252; 12.1333; 22.9886; 90; 90.0171; 90;

COD ID: 1564741

Formula: - C31 H23 N O3 -
Comments: Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S. Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties Inorganica Chimica Acta 507 (2020) 119586
Space group: P 1 c 1
Cell volume: 1185.6
Cell parameters: 26.489; 7.2195; 6.2098; 90; 93.279; 90;

COD ID: 1565425
CIF file	Formula: - C16 H24 B9 N - Comments: Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums Chemical Science (2021) Space group: P 1 c 1 Cell volume: 941.4 Cell parameters: 7.67; 7.489; 16.814; 90; 102.92; 90;

COD ID: 1565631

Formula: - C28 H30 N2 O10 S2 Zn -
Comments: Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A. Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers Inorganica Chimica Acta 500 (2020) 119218
Space group: P 1 c 1
Cell volume: 1521.68
Cell parameters: 13.2419; 7.7558; 15.6016; 90; 108.253; 90;

COD ID: 1566171

Formula: - C11 H6 N2 O2 -
Comments: Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation Tetrahedron 69(47) (2013) 10123-10133
Space group: P 1 c 1
Cell volume: 857.5
Cell parameters: 3.7934; 20.911; 10.908; 90; 97.678; 90;

COD ID: 1566673

Formula: - C10 H11 F O3 S -
Comments: Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V. Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation Chemical Science (2022)
Space group: P 1 c 1
Cell volume: 1025.77
Cell parameters: 5.7165; 12.1828; 14.7356; 90; 91.722; 90;

COD ID: 1567948
CIF file	Formula: - C27 H27 N O3 S - Comments: Hernandez, Jackson; Frontier, Alison Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems Chemical Science (2022) Space group: P 1 c 1 Cell volume: 1121.16 Cell parameters: 12.1762; 11.5704; 7.9829; 90; 94.522; 90;

COD ID: 1568216

Formula: - C34 H28 N4 O4 -
Comments: Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers Polymer Chemistry 14(4) (2023) 452-461
Space group: P 1 c 1
Cell volume: 1333.6
Cell parameters: 11.1707; 3.8686; 30.877; 90; 91.966; 90;

COD ID: 1568278
CIF file	Formula: - C32 H17 N5 - Comments: Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion. Chemical science 14(8) (2023) 2091-2096 Space group: P 1 c 1 Cell volume: 3448.5 Cell parameters: 11.115; 7.4032; 41.998; 90; 93.75; 90;

COD ID: 1568414
CIF file	Formula: - C16 H15 N O3 - Comments: Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol Chemical Science 14(11) (2023) 2983-2989 Space group: P 1 c 1 Cell volume: 651.15 Cell parameters: 7.9798; 10.8805; 8.421; 90; 117.053; 90;

COD ID: 1568640
CIF file	Formula: - C12 H17 P S - Comments: Reichl, Stephan; Balázs, Gábor; Scheer, Manfred Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes. Chemical science 14(14) (2023) 3834-3838 Space group: P 1 c 1 Cell volume: 1189.86 Cell parameters: 19.03; 6.1666; 10.2233; 90; 97.346; 90;

COD ID: 1569202

Formula: - C37 H32.5 N2 O17.75 S8 -
Comments: Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions. Chemical science 14(26) (2023) 7126-7135
Space group: P 1 c 1
Cell volume: 2458.2
Cell parameters: 10.7495; 11.9064; 19.424; 90; 98.589; 90;

COD ID: 1570898
CIF file	Formula: - C19 H30 N3 O6.5 S - Comments: Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A. Sumatriptan Succinate Hemi(Ethanol Solvate) Molbank 2024(1) (2024) M1766 Space group: P 1 c 1 Cell volume: 2101 Cell parameters: 9.834; 12.609; 16.946; 90; 90.94; 90;

COD ID: 1571519
CIF file	Formula: - C20 H19 N O3 - Comments: Scrivener, Sarah G.; Wang, Yiming A C–H Functionalization Approach to Diverse Nitrogenous Scaffolds Through Conjugate Addition of Catalytic Allyliron Nucleophiles Chemical Science (2024) Space group: P 1 c 1 Cell volume: 1644.09 Cell parameters: 13.4572; 9.9639; 12.5603; 90; 102.524; 90;

COD ID: 2000854
CIF file Original IUCr paper	Formula: - C9 H18 F6 N O P - Comments: Simpson, S. J. 2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate Acta Crystallographica Section C 48(6) (1992) 1137-1138 Space group: P 1 c 1 Cell volume: 676.9 Cell parameters: 7.752; 7.539; 12.096; 90; 106.77; 90;

COD ID: 2000949
CIF file Original IUCr paper	Formula: - C18 H38 N2 S4 Sn - Comments: Vrábel, V.; Lokaj, J.; Kellö, E.; Garaj, J.; Batsanov, A. C.; Struchkov, Yu. T. Structure of di(<i>n</i>-butyl)bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV) at 153 K Acta Crystallographica Section C 48(4) (1992) 633-635 Space group: P 1 c 1 Cell volume: 2520.4 Cell parameters: 12.434; 11.913; 18.822; 90; 115.31; 90;

COD ID: 2000961
CIF file Original IUCr paper	Formula: - C13 H8 O2 - Comments: Mochida, T.; Matsumiya, S.; Izuoka, A.; Sato, N.; Sugawara, T.; Sugawara, Y. Structure of 3-hydroxyphenalenone Acta Crystallographica Section C 48(4) (1992) 680-683 Space group: P 1 c 1 Cell volume: 1868.7 Cell parameters: 9.089; 17.737; 14.265; 90; 125.65; 90;

COD ID: 2001058
CIF file Original IUCr paper	Formula: - C15 H14 O3 - Comments: Gulbis, J. M.; Mackay, M. F.; Banwell, M. G.; Lambert, J. N. Structures of colchicine analogues. V. 2-Methoxy-5-(4-methoxyphenyl)cyclohepta-2,4,6-trien-1-one Acta Crystallographica Section C 48(2) (1992) 332-334 Space group: P 1 c 1 Cell volume: 605.3 Cell parameters: 13.219; 7.072; 6.527; 90; 97.23; 90;

COD ID: 2001321

Formula: - C15 H22 O2 -
Comments: Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H. Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and cis-cisoid-cis-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV) Acta Crystallographica Section C 49(10) (1993) 1854-1857
Space group: P 1 c 1
Cell volume: 663.4
Cell parameters: 10.326; 6.706; 9.761; 90; 101.05; 90;

COD ID: 2001492
CIF file Original IUCr paper	Formula: - C5 H19 Co N5 O4.5 S3 - Comments: Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A. Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III) Acta Crystallographica Section C 49(7) (1993) 1265-1267 Space group: P 1 c 1 Cell volume: 1446 Cell parameters: 9.941; 8.884; 16.41; 90; 94.03; 90;

COD ID: 2001630
CIF file Original IUCr paper	Formula: - C10 H18 N2 O7 - Comments: Kettmann, V.; Lokaj, J.; Ducamp-Sanguesa, C.; Figlarz, M.; Touboul, M. Structure of <i>N</i>-(2-hydroxyethyl)ethylenediaminetriacetic acid Acta Crystallographica Section C 49(6) (1993) 1182-1184 Space group: P 1 c 1 Cell volume: 581 Cell parameters: 7.076; 8.218; 10.353; 90; 105.2; 90;

COD ID: 2003435
CIF file Original IUCr paper	Formula: - C7 H13 N O4 - Comments: Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A. 2-Acrylamido-2-hydroxymethylpropan-1,3-diol Acta Crystallographica Section C 51(5) (1995) 974-976 Space group: P 1 c 1 Cell volume: 428.1 Cell parameters: 6.025; 7.566; 9.588; 90; 101.64; 90;

COD ID: 2003923

Formula: - C54.7 H47.4 Cl1.4 F12 Hg2 N6 O8 -
Comments: Breuer, S. W.; Small, R. W. H. Bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^N^2^,N^6^)mercury(II) Tetrakis(trifluoroacetato)mercury(II) Dichloromethane Solvate Acta Crystallographica Section C 51(9) (1995) 1784-1788
Space group: P 1 c 1
Cell volume: 3052
Cell parameters: 15.12; 10.72; 21.58; 90; 119.23; 90;

COD ID: 2004060
CIF file Original IUCr paper	Formula: - C13 H12 O - Comments: Rajnikant; Watkin, D.; Tranter, G. Biphenyl-2-methanol Acta Crystallographica Section C 51(10) (1995) 2161-2163 Space group: P 1 c 1 Cell volume: 2035.1 Cell parameters: 10.712; 9.902; 19.562; 90; 101.25; 90;

COD ID: 2004281
CIF file Original IUCr paper	Formula: - C9 H12 N2 O3 - Comments: Kakuda, H.; Takahashi, Y.; Hirokami, S.-i. (<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones Acta Crystallographica Section C 51(12) (1995) 2647-2650 Space group: P 1 c 1 Cell volume: 500.32 Cell parameters: 5.558; 5.7557; 15.656; 90; 92.61; 90;

COD ID: 2006241
CIF file Original IUCr paper	Formula: - C6 H12 N2 O6 V - Comments: Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto Aqua(ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-<i>O</i>,<i>O</i>')oxovanadium(IV) Acta Crystallographica Section C 53(6) (1997) 672-673 Space group: P 1 c 1 Cell volume: 496.96 Cell parameters: 8.307; 6.7435; 10.102; 90; 118.576; 90;

COD ID: 2007899

Formula: - C29 H26 O4 -
Comments: Yu , Jianhua; Hu, Yulai; Huang, Qibin; Yu, Kaibei; Yang, Shiyan 7-Methoxy-1-[1-(6-methoxy-2-naphthoyl)ethyl]-2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-3-one Acta Crystallographica Section C 54(12) (1998) 2009-2011
Space group: P 1 c 1
Cell volume: 1163.6
Cell parameters: 12.204; 14.957; 6.527; 90; 102.41; 90;

COD ID: 2008595

Formula: - C14 H17 N O2 -
Comments: Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano 3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone Acta Crystallographica Section C 55(6) (1999) 1029-1031
Space group: P 1 c 1
Cell volume: 634.9
Cell parameters: 7.208; 6.291; 14.432; 90; 104.04; 90;

COD ID: 2008729

Formula: - C38 H56 O16 -
Comments: Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K. Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules Acta Crystallographica Section C 55(7) (1999) 1183-1186
Space group: P 1 c 1
Cell volume: 12432
Cell parameters: 26.28; 26.285; 18.449; 90; 102.696; 90;

COD ID: 2009086

Formula: - C10 H18 N2 Ni O8 S2 -
Comments: Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate Acta Crystallographica Section C 55(11) (1999) 1780-1784
Space group: P 1 c 1
Cell volume: 1668.3
Cell parameters: 12.377; 6.974; 19.822; 90; 102.82; 90;

COD ID: 2009130
CIF file Original IUCr paper	Formula: - C4 H8 Na O12 Y - Comments: Bataille, Thierry; Louër, Daniel Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O Acta Crystallographica Section C 55(11) (1999) 1760-1762 Space group: P 1 c 1 Cell volume: 1080.9 Cell parameters: 8.623; 8.631; 14.896; 90; 102.848; 90;

COD ID: 2009617

Formula: - C12 H15 N3 O6 -
Comments: Low, John N.; Egglishaw, Clare; Ferguson, George; Cobo, Justo; Garcia, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo 6-Amino-5-[(E)-1,2-bis(methoxycarbonyl)vinyl]-2-methoxy-3-methylpyrimidin-4(3H)-one Acta Crystallographica Section C 50(4) (1994) 585-587
Space group: P 1 c 1
Cell volume: 676.04
Cell parameters: 7.4731; 10.8843; 9.0286; 90; 112.992; 90;

COD ID: 2010395

Formula: - C17 H20 N2 O2 -
Comments: Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T. (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-b]indol-1-yl)methanol and its Unusual Packing Style Acta Crystallographica Section C 51(1) (1995) 135-139
Space group: P 1 c 1
Cell volume: 2961.1
Cell parameters: 18.499; 6.2149; 26.45; 90; 103.16; 90;

COD ID: 2010796
CIF file Original IUCr paper	Formula: - Al O4 P - Comments: Graetsch, Heribert Two forms of aluminium phosphate tridymite from X-ray powder data Acta Crystallographica Section C 56(4) (2000) 401-403 Space group: P 1 c 1 Cell volume: 4374.7 Cell parameters: 37.3863; 5.0455; 26.2217; 90; 117.816; 90;

COD ID: 2010974
CIF file Original IUCr paper	Formula: - C16 H30 O4 Zn - Comments: Lacouture, Françoise; Peultier, Jerôme; Francois, Michel; Steinmetz, Jean Anhydrous polymeric zinc(II) octanoate Acta Crystallographica Section C 56(5) (2000) 556-557 Space group: P 1 c 1 Cell volume: 897.78 Cell parameters: 21.093; 4.6905; 9.2544; 90; 101.323; 90;

COD ID: 2011704

Formula: - C8 H7 N O3 -
Comments: Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet p-Formamidobenzoic acid Acta Crystallographica Section C 57(1) (2001) 86-87
Space group: P 1 c 1
Cell volume: 367.76
Cell parameters: 8.0595; 3.8631; 11.812; 90; 90.16; 90;

COD ID: 2011841
CIF file Original IUCr paper	Formula: - C2 H15 Cl6 N8 Sb - Comments: Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K Acta Crystallographica Section C 57(4) (2001) 388-391 Space group: P 1 c 1 Cell volume: 1614.5 Cell parameters: 7.522; 13.856; 15.544; 90; 94.75; 90;

COD ID: 2011842
CIF file Original IUCr paper	Formula: - C2 H15 Cl6 N8 Sb - Comments: Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K Acta Crystallographica Section C 57(4) (2001) 388-391 Space group: P 1 c 1 Cell volume: 1575.9 Cell parameters: 7.426; 13.836; 15.403; 90; 95.27; 90;

COD ID: 2011992

Formula: - C14 H12 N4 Pb S2 -
Comments: Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul catena-Poly[[bis(thiocyanato-N)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-N:N'] Acta Crystallographica Section C 57(5) (2001) 526-527
Space group: P 1 c 1
Cell volume: 833.48
Cell parameters: 11.6335; 5.6309; 14.8578; 90; 121.091; 90;

COD ID: 2012170

Formula: - C26 H20 B F4 N7 O2 Ru -
Comments: Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey (Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN](2,2':6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate Acta Crystallographica Section C 57(8) (2001) 895-896
Space group: P 1 c 1
Cell volume: 1297.2
Cell parameters: 9.2347; 9.6814; 14.588; 90; 95.948; 90;

COD ID: 2012869

Formula: - C14 H16 N2 O3 S -
Comments: Breydo, Leonid; Barnes, Charles L.; Gates, Kent S. Two (E,E)- and (Z,E)-thiazol-5-ylpenta-2,4-dienones Acta Crystallographica Section C 58(8) (2002) o447-o449
Space group: P 1 c 1
Cell volume: 716.48
Cell parameters: 10.078; 8.882; 8.512; 90; 109.89; 90;

COD ID: 2013526

Formula: - Cs0.9 Li2.88 O8 Rb0.22 S2 -
Comments: Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli New crystals in the lithium sulfate family Acta Crystallographica Section C 59(7) (2003) i67-i70
Space group: P 1 c 1
Cell volume: 419.9
Cell parameters: 5.053; 5.199; 15.984; 90; 90.297; 90;

COD ID: 2013580

Formula: - C19 H16 N2 O4 S -
Comments: Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez 2-Amino-1,3-benzothiazole‒ethyl coumarin-3-carboxylate (1/1) Acta Crystallographica Section C 59(10) (2003) o544-o546
Space group: P 1 c 1
Cell volume: 1789.9
Cell parameters: 9.36; 9.109; 21.242; 90; 98.78; 90;

COD ID: 2013804

Formula: - C7 H7 N3 O2 -
Comments: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of R_4^4(26) rings Acta Crystallographica Section C 60(1) (2004) o33-o34
Space group: P 1 c 1
Cell volume: 363.84
Cell parameters: 3.707; 6.3963; 15.4047; 90; 95.064; 90;

COD ID: 2014474

Formula: - C8 H9 N O6 -
Comments: Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki 2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate Acta Crystallographica, Section C: Crystal Structure Communications 60(10) (2004) o717-o722
Space group: P 1 c 1
Cell volume: 486.95
Cell parameters: 5.7563; 5.1871; 16.3206; 90; 92.186; 90;

COD ID: 2014705

Formula: - C25 H20 N4 -
Comments: Wang, Qing; Pi, Xiang-Dong; Su, Cheng-Yong Bis[4-(3-pyridylmethyleneamino)phenyl]methane Acta Crystallographica Section C 61(2) (2005) o73-o74
Space group: P 1 c 1
Cell volume: 980.3
Cell parameters: 18.7505; 4.6414; 11.3866; 90; 98.394; 90;

COD ID: 2015057

Formula: - C10 H9 Cl N2 O4 -
Comments: Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher 2-(2-Pyridyl)pyridinium perchlorate, redetermined at 120K: complex hydrogen-bonded sheets Acta Crystallographica Section C 61(8) (2005) o473-o474
Space group: P 1 c 1
Cell volume: 532
Cell parameters: 5.958; 12.854; 7.06; 90; 100.26; 90;

COD ID: 2015110

Formula: - Cr4 K2 O13 -
Comments: Barbara M. Casari; Vratislav Langer Dipotassium tetrachromate(VI), K~2~Cr~4~O~13~ Acta Crystallographica Section C 61(12) (2005) i117-i119
Space group: P 1 c 1
Cell volume: 596.89
Cell parameters: 8.6165; 7.4725; 9.2811; 90; 92.746; 90;

COD ID: 2015842

Formula: - C14 H12 Br N O2 -
Comments: Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan Three (E)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols Acta Crystallographica Section C 63(3) (2007) o177-o180
Space group: P 1 c 1
Cell volume: 635.62
Cell parameters: 12.6852; 4.5157; 12.1383; 90; 113.915; 90;

COD ID: 2015843

Formula: - C14 H12 Br N O2 -
Comments: Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan Three (E)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols Acta Crystallographica Section C 63(3) (2007) o177-o180
Space group: P 1 c 1
Cell volume: 634.26
Cell parameters: 14.0683; 6.9497; 6.5553; 90; 98.264; 90;

COD ID: 2016143

Formula: - C14 H10 Cl I N2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J. Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine Acta Crystallographica Section C 63(9) (2007) o518-o523
Space group: P 1 c 1
Cell volume: 676.9
Cell parameters: 11.499; 4.0006; 14.717; 90; 90.9; 90;

COD ID: 2016175

Formula: - C19 H22 N2 O2 -
Comments: Pospieszna-Markiewicz, Izabela; Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine Acta Crystallographica Section C 63(9) (2007) o559-o561
Space group: P 1 c 1
Cell volume: 825.88
Cell parameters: 16.3631; 5.6428; 9.1251; 90; 101.418; 90;

COD ID: 2016466

Formula: - C15 H10 Cl N3 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle 4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs Acta Crystallographica Section C 64(2) (2008) o37-o40
Space group: P 1 c 1
Cell volume: 631.76
Cell parameters: 3.8276; 7.1042; 23.238; 90; 91.151; 90;

COD ID: 2017133

Formula: - C12 H8 Cl2 N2 O5 -
Comments: Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates Acta Crystallographica Section C 65(6) (2009) o273-o277
Space group: P 1 c 1
Cell volume: 645.9
Cell parameters: 9.9861; 6.1438; 11.6027; 90; 114.858; 90;

COD ID: 2017386

Formula: - C17 H21 N O2 -
Comments: Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K. Crystal packing in the structures of diethanolamine derivatives Acta Crystallographica Section C 65(11) (2009) o587-o592
Space group: P 1 c 1
Cell volume: 723.88
Cell parameters: 5.8366; 15.3018; 8.1078; 90; 91.444; 90;

COD ID: 2017400

Formula: - C10 H9 Fe I -
Comments: Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V. Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~X (X = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I Acta Crystallographica Section C 65(11) (2009) m426-m430
Space group: P 1 c 1
Cell volume: 924.9
Cell parameters: 6.2918; 9.7229; 15.146; 90; 93.437; 90;

COD ID: 2017646

Formula: - C18 H15 Cl2 Sb -
Comments: MacDonald, Daniel J.; Jennings, Michael C.; Preuss, Kathryn E. A new polymorph of dichloridotriphenylantimony Acta Crystallographica Section C 66(5) (2010) m137-m140
Space group: P 1 c 1
Cell volume: 1665.33
Cell parameters: 13.8005; 10.0348; 13.4973; 90; 117.008; 90;

COD ID: 2017804

Formula: - C21 H18 Ag F3 N6 O3 S -
Comments: Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria Bis(di-2-pyridylamine-κ^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations Acta Crystallographica Section C 66(11) (2010) m355-m357
Space group: P 1 c 1
Cell volume: 2270.7
Cell parameters: 15.1215; 13.2206; 11.9113; 90; 107.527; 90;

COD ID: 2018456

Formula: - C16 H9 Br N2 O2 -
Comments: Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou 6-Bromoindigo dye Acta Crystallographica Section C 68(4) (2012) o160-o163
Space group: P 1 c 1
Cell volume: 641.8
Cell parameters: 12.347; 4.6558; 11.607; 90; 105.856; 90;

COD ID: 2018627

Formula: - C9 H7 N7 -
Comments: Lysenko, Andrey B. The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1H-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure Acta Crystallographica Section C 68(10) (2012) m291-m294
Space group: P 1 c 1
Cell volume: 453.45
Cell parameters: 3.7413; 7.8684; 15.4092; 90; 91.54; 90;

COD ID: 2019632

Formula: - C32 H31 F2 N3 O2 -
Comments: Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate Acta Crystallographica Section C 70(8) (2014)
Space group: P 1 c 1
Cell volume: 1334.91
Cell parameters: 10.8536; 10.8103; 11.3901; 90; 92.717; 90;

COD ID: 2019951

Formula: - C14 H13 N O2 -
Comments: Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene Acta Crystallographica Section E Crystallographic Communications 71(6) (2015) 571
Space group: P 1 c 1
Cell volume: 563.52
Cell parameters: 8.0357; 5.5554; 12.8733; 90; 101.312; 90;

COD ID: 2020256

Formula: - C15 H10 F N O2 -
Comments: Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P. Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione Acta Crystallographica Section C 71(11) (2015)
Space group: P 1 c 1
Cell volume: 609
Cell parameters: 6.6616; 4.8577; 19.099; 90; 99.821; 90;

COD ID: 2020509

Formula: - C22 H23 N3 O4 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P 1 c 1
Cell volume: 1999.6
Cell parameters: 13.966; 12.991; 11.225; 90; 100.931; 90;

COD ID: 2020828

Formula: - C18 H20 N6 O4 -
Comments: Cati, Dilovan S.; Stoeckli-Evans, Helen Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer Acta Crystallographica Section E Crystallographic Communications 73(6) (2017) 798
Space group: P 1 c 1
Cell volume: 924.5
Cell parameters: 4.3677; 14.0232; 15.1816; 90; 96.153; 90;

COD ID: 2021316

Formula: - C6 H5 Br N2 O2 -
Comments: Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D. The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of meta-bromonitrobenzene derivatives Acta Crystallographica Section C 74(11) (2018)
Space group: P 1 c 1
Cell volume: 729.82
Cell parameters: 11.1643; 3.8275; 17.2764; 90; 98.662; 90;

COD ID: 2021642

Formula: - C14 H24 Cl2 N4 -
Comments: Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 c 1
Cell volume: 802.42
Cell parameters: 6.1699; 12.5258; 10.657; 90; 103.023; 90;

COD ID: 2021687
CIF file Original IUCr paper	Formula: - C28 H33 Cl N4 O4 W - Comments: Böhme, Uwe; Schwarzer, Anke; Günther, Betty The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex Acta Crystallographica Section C 75(7) (2019) Space group: P 1 c 1 Cell volume: 1365.75 Cell parameters: 9.3157; 8.4063; 17.4678; 90; 93.222; 90;

COD ID: 2021937

Formula: - C96 H86 N20 O17 Zn3 -
Comments: Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties Acta Crystallographica Section C 76(1) (2020) 10-16
Space group: P 1 c 1
Cell volume: 4848.4
Cell parameters: 16.908; 8.432; 34.872; 90; 102.782; 90;

COD ID: 2022287

Formula: - C14 H11 I N2 O S -
Comments: Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas Acta Crystallographica Section C 77(1) (2021) 11-19
Space group: P 1 c 1
Cell volume: 1357.7
Cell parameters: 4.5639; 15.375; 19.355; 90; 91.404; 90;

COD ID: 2022290

Formula: - C14 H11 Br N2 O S -
Comments: Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas Acta Crystallographica Section C 77(1) (2021) 11-19
Space group: P 1 c 1
Cell volume: 1328.9
Cell parameters: 4.6404; 15.017; 19.074; 90; 91.052; 90;

COD ID: 2022621

Formula: - C10 H9 N O S2 -
Comments: Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of N-(thiophen-2-ylmethyl)thiophene-2-carboxamide Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 c 1
Cell volume: 536.15
Cell parameters: 4.9916; 10.8497; 10.0075; 90; 98.411; 90;

COD ID: 2100583
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P 1 c 1 Cell volume: 624.63 Cell parameters: 10.0528; 4.8703; 13.5719; 90; 109.945; 90;

COD ID: 2100745

Formula: - C4 H8 N6 O5 -
Comments: Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D. The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane Acta Crystallographica Section B 47(5) (1991) 782-789
Space group: P 1 c 1
Cell volume: 855.7
Cell parameters: 11.3; 6.34; 12.23; 90; 102.4; 90;

COD ID: 2101450
CIF file Original IUCr paper	Formula: - C20 H26 Cl N O6 - Comments: Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L. Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns Acta Crystallographica Section B 52(1) (1996) 194-200 Space group: P 1 c 1 Cell volume: 2066.3 Cell parameters: 12.477; 12.646; 13.4267; 90; 102.747; 90;

COD ID: 2101489
CIF file Original IUCr paper	Formula: - C6 H24 Cl9 N3 Sb2 - Comments: Zaleski, J.; Pietraszko, A. Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA) Acta Crystallographica Section B 52(2) (1996) 287-295 Space group: P 1 c 1 Cell volume: 1198.4 Cell parameters: 9.47; 9.034; 14.08; 90; 95.81; 90;

COD ID: 2102228

Formula: - C24 H40 N4 O8 -
Comments: Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions Acta Crystallographica Section B 60(1) (2004) 65-75
Space group: P 1 c 1
Cell volume: 1334.1
Cell parameters: 9.149; 12.8557; 12.4022; 90; 113.854; 90;

COD ID: 2103059

Formula: - C11 H8 F N3 O -
Comments: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Ferreira, Marcelle de L.; Wardell, James L.; Low, John N.; Glidewell, Christopher Patterns of hydrogen bonding in mono- and di-substituted N-arylpyrazinecarboxamides Acta Crystallographica Section B 64(1) (2008) 84-100
Space group: P 1 c 1
Cell volume: 1881.62
Cell parameters: 5.9666; 24.2205; 13.0262; 90; 91.72; 90;

COD ID: 2103636

Formula: - C14 H12 N2 O2 -
Comments: Cole, Jacqueline M.; Howard, Judith A. K.; McIntyre, Garry J. Influence of hydrogen bonding on the second harmonic generation effect: neutron diffraction study of 4-nitro-4'-methylbenzylidene aniline Acta Crystallographica Section B 57(3) (2001) 410-414
Space group: P 1 c 1
Cell volume: 572.3
Cell parameters: 7.305; 11.495; 7.24; 90; 109.71; 90;

COD ID: 2104008

Formula: - O13 V6 -
Comments: Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Low-temperature structure of V~6~O~13~ Acta Crystallographica Section B 59(6) (2003) 747-752
Space group: P 1 c 1
Cell volume: 438.52
Cell parameters: 10.0605; 3.7108; 11.9633; 90; 100.927; 90;

COD ID: 2104009

Formula: - O13 V6 -
Comments: Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Low-temperature structure of V~6~O~13~ Acta Crystallographica Section B 59(6) (2003) 747-752
Space group: P 1 c 1
Cell volume: 437.652
Cell parameters: 10.0543; 3.708; 11.9554; 90; 100.914; 90;

COD ID: 2104222
CIF file Original IUCr paper	Formula: - C6 D12 O - Comments: Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T. Polymorphism in cyclohexanol Acta Crystallographica Section B 64(5) (2008) 573-582 Space group: P 1 c 1 Cell volume: 590.93 Cell parameters: 12.0244; 6.362; 8.10998; 90; 107.733; 90;

COD ID: 2105388
CIF file	Formula: - Au Cl4 K - Comments: Bonamico, M.; Dessy, G. The crystal structure of anhydrous potassium tetrachloroaurate(III) Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1735-1736 Space group: P 1 c 1 Cell volume: 674.956 Cell parameters: 8.671; 6.386; 12.243; 90; 95.37; 90;

COD ID: 2106178
CIF file	Formula: - C2 H6 N4 O4 Zn - Comments: Bigoli, F.; Braibanti, A.; Tiripicchio, A.; Tiripicchio Camellini, M. Structures of Chelates of Hydrazinecaboxylic Acid. Bis(hydrazinecarboxylato-N,O)-zinc Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2453-2457 Space group: P 1 c 1 Cell volume: 296.093 Cell parameters: 6.87; 5.08; 9.1; 90; 111.2; 90;

COD ID: 2106255
CIF file	Formula: - H15 I Mg O12 - Comments: Bigoli, F.; Manotti Lanfredi, A.M.; Tiripicchio Camellini, M.; Tiripicchio, A. Crystal and molecular structure of hexaquomagnesium trihydrogenhexaoxoiodate(VII) Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1075-1079 Space group: P 1 c 1 Cell volume: 485.228 Cell parameters: 5.18; 9.886; 10.625; 90; 116.9; 90;

COD ID: 2106655
CIF file	Formula: - C4 H17 Co N10 O6.5 S4 - Comments: Baggio, R.F.; Manzanares, C.; Baggio, S. Tetrakis(thiourea)cobalt(II) nitrate hemihydrate = a monoclinic form Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2359-2361 Space group: P 1 c 1 Cell volume: 1994.34 Cell parameters: 17.4; 11.9; 9.812; 90; 101; 90;

COD ID: 2106856
CIF file	Formula: - Ca H8 Na2 O11 P2 - Comments: Cheng, P.T.; Pritzker, K.P.H. Alpha-calcium disodium pyrophosphate tetrahydrate Acta Crystallographica B (24,1968-38,1982) 36 (1980) 921-924 Space group: P 1 c 1 Cell volume: 495.313 Cell parameters: 5.689; 8.586; 10.565; 90; 106.3; 90;

COD ID: 2107199
CIF file	Formula: - H2 I3 K O - Comments: Thomas, R.; Moore, F.H. Neutron Diffraction Studies of Polyiodides. I. Potassium Triiodide Monohydrate Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2869-2873 Space group: P 1 c 1 Cell volume: 402.109 Cell parameters: 4.629; 10.047; 9.662; 90; 116.51; 90;

COD ID: 2108535
CIF file HKL data	Formula: - C33 H54 O Ti Zr - Comments: Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology 75(12) (2019) Space group: P 1 c 1 Cell volume: 3042.5 Cell parameters: 8.627; 15.358; 23.033; 90; 94.45; 90;

COD ID: 2108536
CIF file HKL data	Formula: - C33 H54 O Ti Zr - Comments: Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology 75(12) (2019) Space group: P 1 c 1 Cell volume: 3042.5 Cell parameters: 8.627; 15.358; 23.033; 90; 94.45; 90;

COD ID: 2108537
CIF file HKL data	Formula: - C33 H54 O Ti Zr - Comments: Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology 75(12) (2019) Space group: P 1 c 1 Cell volume: 3042.5 Cell parameters: 8.627; 15.358; 23.033; 90; 94.45; 90;

COD ID: 2108538
CIF file HKL data	Formula: - C33 H54 O Ti Zr - Comments: Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology 75(12) (2019) Space group: P 1 c 1 Cell volume: 3042.5 Cell parameters: 8.627; 15.358; 23.033; 90; 94.45; 90;

COD ID: 2108635

Formula: - C22 H17 F4 N O -
Comments: Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B 76(4) (2020)
Space group: P 1 c 1
Cell volume: 1768.8
Cell parameters: 17.468; 6.2025; 16.338; 90; 92.208; 90;

COD ID: 2109003
CIF file	Formula: - C5 H5 N3 O - Comments: Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B 78(3 Part 1) (2022) 416-424 Space group: P 1 c 1 Cell volume: 266.43 Cell parameters: 7.1818; 3.6295; 10.6533; 90; 106.377; 90;

COD ID: 2109004
CIF file	Formula: - C5 H5 N3 O - Comments: Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B 78(3 Part 1) (2022) 416-424 Space group: P 1 c 1 Cell volume: 268.27 Cell parameters: 7.173; 3.65; 10.686; 90; 106.487; 90;

COD ID: 2200300

Formula: - C34 H40 Ag F6 P S4 -
Comments: Chen, Wei; Du, Miao; Zhang, Ruo-Hua; Bu, Xian-He Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer Acta Crystallographica Section E 57(6) (2001) m213-m215
Space group: P 1 c 1
Cell volume: 1835
Cell parameters: 9.3876; 10.2213; 19.64; 90; 103.161; 90;

COD ID: 2200420
CIF file	Formula: - C14 H13 N O3 - Comments: Héctor Novoa de Armas; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet 2-(4-Methoxyphenyl)aminobenzoic acid Acta Crystallographica, Section E 57 (2001) o638-o640 Space group: P 1 c 1 Cell volume: 2445.6 Cell parameters: 12.6506; 10.1894; 19.8565; 90; 107.16; 90;

COD ID: 2200690

Formula: - C9 H14 N O6 P -
Comments: B. Ravikumar; B. Sridhar; R. K. Rajaram DL-Phenylalaninium dihydrogen phosphate Acta Crystallographica Section E 57(11) (2001) o1078-o1080
Space group: P 1 c 1
Cell volume: 1186.2
Cell parameters: 13.899; 9.956; 9.051; 90; 108.726; 90;

COD ID: 2201020

Formula: - C13 H13 O P -
Comments: Kruszynski, Rafal; Wieczorek, Wanda; Pietrusiewicz, K. Michał Racemic benzylphenylphosphine oxide Acta Crystallographica Section E 58(4) (2002) o390-o392
Space group: P 1 c 1
Cell volume: 567.9
Cell parameters: 12.817; 5.713; 8.074; 90; 106.15; 90;

COD ID: 2201049

Formula: - C9 H6 O S -
Comments: Munshi, Parthapratim; Guru Row, T. N. 2H-Thiochromen-2-one Acta Crystallographica Section E 58(4) (2002) o353-o354
Space group: P 1 c 1
Cell volume: 373.5
Cell parameters: 3.8899; 8.4355; 11.4569; 90; 96.53; 90;

COD ID: 2201222

Formula: - C13 H14 N4 S -
Comments: Lai, Chian Sing; Tiekink, Edward R. T. 1,3-Bis(3-pyridylmethyl)-2-thiourea Acta Crystallographica Section E 58(5) (2002) o538-o539
Space group: P 1 c 1
Cell volume: 641.35
Cell parameters: 6.8629; 9.1707; 10.7176; 90; 108.048; 90;

COD ID: 2202147

Formula: - C13 H11 N3 O3 -
Comments: Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang Salicylaldehyde 4-nitrophenylhydrazone Acta Crystallographica Section E 59(3) (2003) o342-o343
Space group: P 1 c 1
Cell volume: 602.86
Cell parameters: 5.0052; 9.9004; 12.1749; 90; 92.199; 90;

COD ID: 2202786

Formula: - C17 H14 O3 S -
Comments: Nagarajan Vembu; Maruthai Nallu; Elinor C. Spencer; Judith A. K. Howard 2-Naphthyl 4-toluenesulfonate: supramolecular aggregation through C—H···O and C—H···π interactions Acta Crystallographica Section E 59(7) (2003) o1033-o1035
Space group: P 1 c 1
Cell volume: 1410.72
Cell parameters: 7.9315; 29.13; 6.1111; 90; 92.383; 90;

COD ID: 2203049

Formula: - C16 H17 Cu N3 O5 -
Comments: Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Mária Kohútová; Aladár Valent (N-Salicylidene-D,L-glutamato)(2-methylimidazole)copper(II) Acta Crystallographica Section E 60(1) (2004) m129-m132
Space group: P 1 c 1
Cell volume: 811.63
Cell parameters: 5.2319; 16.2576; 9.6044; 90; 96.53; 90;

COD ID: 2203793

Formula: - C22 H12 Br2 N2 O2 -
Comments: Britton, Doyle 4,7-Dibromobenzo[c]furazan 1-oxide‒pyrene (1/1) Acta Crystallographica Section E 60(6) (2004) o1117-o1118
Space group: P 1 c 1
Cell volume: 914
Cell parameters: 7.851; 7.657; 16.296; 90; 111.09; 90;

COD ID: 2204566

Formula: - C24 H24 Cu N4 O5 -
Comments: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui (1H-Benzimidazole-κN^3^)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^O,N,O']copper(II) methanol solvate Acta Crystallographica Section E 60(11) (2004) m1675-m1677
Space group: P 1 c 1
Cell volume: 1146.7
Cell parameters: 13.534; 5.071; 21.294; 90; 128.31; 90;

COD ID: 2205190

Formula: - C21 H15 Cl N4 O S -
Comments: Xu, Liangzhong; Yang, Shuanghua; Zhu, Chongyi; Li, Kai; Liu, Faqian 2-(1H-Benzotriazol-1-yl)-3-(4-chlorophenyl)-3-hydroxy-N-phenylprop-2-enethioamide Acta Crystallographica Section E 61(2) (2005) o259-o260
Space group: P 1 c 1
Cell volume: 950.2
Cell parameters: 10.2362; 8.9429; 10.3855; 90; 91.887; 90;

COD ID: 2205551

Formula: - C17 H16 O3 -
Comments: George R. Clark; Kit Yee Tsang; Margaret A. Brimble 5-Methoxyspiro[1-benzofuran-2(3H),2'-chroman] Acta Crystallographica Section E 61(4) (2005) o1123-o1124
Space group: P 1 c 1
Cell volume: 671.56
Cell parameters: 10.3982; 5.7749; 11.248; 90; 96.132; 90;

COD ID: 2205937

Formula: - C4 H3 N3 -
Comments: Less, Gregory B.; Rasmussen, Paul G.; Kampf, Jeff W. 1H-Imidazole-4-carbonitrile Acta Crystallographica Section E 61(6) (2005) o1704-o1706
Space group: P 1 c 1
Cell volume: 214.76
Cell parameters: 5.723; 3.6965; 10.244; 90; 97.689; 90;

COD ID: 2206158

Formula: - C23 H22 O4 -
Comments: Hong-Tao Mu; He-Yang Li; Hai-Bin Song; Wen-Bin Chen 2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[a]indene-3,1'-naphthalen]-8-yl acetate Acta Crystallographica Section E 61(7) (2005) o2305-o2307
Space group: P 1 c 1
Cell volume: 1832.5
Cell parameters: 10.949; 9.344; 18.961; 90; 109.154; 90;

COD ID: 2206398
CIF file Original IUCr paper	Formula: - C6 H6 N2 O4 - Comments: Jing Xiong; Miao-Chang Liu; Ji-Xin Yuan 1-(Carboxymethyl)uracil Acta Crystallographica Section E 61(8) (2005) o2665-o2667 Space group: P 1 c 1 Cell volume: 338.58 Cell parameters: 5.0999; 4.6273; 15.0106; 90; 107.093; 90;

COD ID: 2207085

Formula: - C12 H18 O4 -
Comments: Meng, Xiang-Gao; Wu, An-Xin (RS)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol Acta Crystallographica Section E 61(10) (2005) o3176-o3178
Space group: P 1 c 1
Cell volume: 1262.7
Cell parameters: 13.74; 9.405; 9.997; 90; 102.19; 90;

COD ID: 2207352

Formula: - C16 H13 N3 O2 -
Comments: da Silva, Luiz Everson; Joussef, Antonio C.; Foro, Sabine; Schmidt, Boris N-Benzyl-8-nitroquinolin-2-amine Acta Crystallographica Section E 61(11) (2005) o3837-o3838
Space group: P 1 c 1
Cell volume: 1376.7
Cell parameters: 7.439; 11.215; 16.541; 90; 93.96; 90;

COD ID: 2207596

Formula: - C11 H12 O4 -
Comments: Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K. Dimethyl dipropargylmalonate Acta Crystallographica Section E 61(12) (2005) o4025-o4027
Space group: P 1 c 1
Cell volume: 552.8
Cell parameters: 8.26; 9.706; 7.77; 90; 117.45; 90;

COD ID: 2207597

Formula: - C12 H7 Cl2 N O6 -
Comments: Tabuchi, Youhei; Takahashi, Akiko; Gotoh, Kazuma; Akashi, Haruo; Ishida, Hiroyuki 2-Carboxypyridinium hydrogen chloranilate Acta Crystallographica Section E 61(12) (2005) o4215-o4217
Space group: P 1 c 1
Cell volume: 656.89
Cell parameters: 10.7715; 5.4301; 12.9139; 90; 119.58; 90;

COD ID: 2207674

Formula: - C30 H33 N O4 S Sn -
Comments: Ng, Seik Weng Rerefinement of catena-poly[triethylammonium [triphenylstannate(IV)-μ-2,5-thiophenedicarboxylato]] in the space group Pc Acta Crystallographica Section E 61(12) (2005) m2512-m2513
Space group: P 1 c 1
Cell volume: 2923.1
Cell parameters: 18.354; 9.658; 18.982; 90; 119.69; 90;

COD ID: 2207801

Formula: - C17 H18 Co N2 O8 S -
Comments: Hong-Ping Xiao Triaqua(2,2'-bipyridine)(2-sulfonatobenzoato)cobalt(II) Acta Crystallographica Section E 62(1) (2006) m95-m97
Space group: P 1 c 1
Cell volume: 967.95
Cell parameters: 7.4546; 12.3272; 10.5333; 90; 90.142; 90;

COD ID: 2208137
CIF file Original IUCr paper	Formula: - C14 H22 Ca Cl2 O15 S2 - Comments: Wallace, Dawn; Reglinski, John; Taylor, Michelle K.; Kennedy, Alan R. Hexaaqua(4-chloro-3-formylbenzenesulfonato)calcium(II) 4-chloro-3-formylbenzenesulfonate monohydrate Acta Crystallographica Section E 62(2) (2006) m339-m341 Space group: P 1 c 1 Cell volume: 1176.05 Cell parameters: 6.475; 24.7258; 7.3573; 90; 93.2126; 90;

COD ID: 2208172

Formula: - C18 H20 O5 -
Comments: Yong-Bin Lu; Qi-Tai Zheng; Yang Lu 1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one Acta Crystallographica Section E 62(2) (2006) o469-o470
Space group: P 1 c 1
Cell volume: 819.4
Cell parameters: 5.62; 14.447; 10.149; 90; 96.04; 90;

COD ID: 2209224

Formula: - C24 H32 Ag2 F6 N4 O6 Si -
Comments: Déborah González Mantero; Antonia Neels; Helen Stoeckli-Evans catena-Poly[bis[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] hexafluorosilicate dihydrate ethylene glycol disolvate] Acta Crystallographica Section E 62(6) (2006) m1381-m1383
Space group: P 1 c 1
Cell volume: 1426.2
Cell parameters: 9.8887; 11.3492; 14.6304; 90; 119.701; 90;

COD ID: 2209270
CIF file Original IUCr paper	Formula: - C4 H3 Na O5 - Comments: Nadia Petrova; Boris Shivachev; Tsonko Kolev; Rosica Petrova Sodium hydrogensquarate monohydrate Acta Crystallographica Section E 62(6) (2006) m1359-m1361 Space group: P 1 c 1 Cell volume: 274.1 Cell parameters: 3.6239; 8.132; 9.392; 90; 97.97; 90;

COD ID: 2209298

Formula: - C13 H18 Br2 Cl2 N2 O Zn -
Comments: San-Jun Peng; Cong-Shan Zhou; Tao Yang Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II) Acta Crystallographica Section E 62(6) (2006) m1413-m1415
Space group: P 1 c 1
Cell volume: 1786.9
Cell parameters: 7.687; 19.102; 13.841; 90; 118.452; 90;

COD ID: 2209615

Formula: - C20 H14 N2 O -
Comments: Sakane, Genta; Kawasaki, Hideki; Shibahara, Takashi 1-(8-Quinolylaminomethylene)naphthalen-2(1H)-one Acta Crystallographica Section E 62(7) (2006) o2736-o2737
Space group: P 1 c 1
Cell volume: 700.16
Cell parameters: 11.7365; 5.8687; 14.251; 90; 134.496; 90;

COD ID: 2209821

Formula: - C12 H14 N2 O4 S -
Comments: Ngah, Nurziana; Darman, Najiha; Yamin, Bohari M. 3-[3-(4-Methoxybenzoyl)thioureido]propionic acid Acta Crystallographica Section E 62(8) (2006) o3369-o3371
Space group: P 1 c 1
Cell volume: 664.6
Cell parameters: 9.795; 4.779; 14.951; 90; 108.275; 90;

COD ID: 2210434

Formula: - C11 H14 Cl4 N2 O4 -
Comments: Cai, Min-Ying; Chen, Jian-Zhong 4-Dimethylaminopyridinium dichloroacetate dichloroacetic acid Acta Crystallographica Section E 62(9) (2006) o3996-o3997
Space group: P 1 c 1
Cell volume: 825.8
Cell parameters: 8.83; 5.874; 17.096; 90; 111.37; 90;

COD ID: 2210949

Formula: - C28 H34 N6 S3 Sn2 -
Comments: Lin-Lin Qiu; Ji-Kun Li; Jun-Shan Sun; Ru-Fen Zhang catena-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^N:N'-[trimethyltin(IV)]-μ-1,3,4-thiadiazole-2,5(3H)-dithionato(2{-})-κ^2^N^3^:S^5^] 4,4'-bipyridine clathrate] Acta Crystallographica Section E 62(11) (2006) m3052-m3053
Space group: P 1 c 1
Cell volume: 1653.6
Cell parameters: 10.886; 11.525; 13.236; 90; 95.249; 90;

COD ID: 2211702

Formula: - C23 H17 N O4 -
Comments: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan [2-Methyl-4-(3-oxo-1,3-dihydroisobenzofuran-1-ylamino)phenyl]isobenzofuran-1(3H)-one Acta Crystallographica Section E 63(1) (2007) o22-o24
Space group: P 1 c 1
Cell volume: 899.95
Cell parameters: 5.1039; 6.1761; 28.5758; 90; 92.444; 90;

COD ID: 2211778

Formula: - C20 H20 N2 O4 -
Comments: Bhuiyan, M. Delower H.; Clegg, Jack K.; Try, Andrew C. Ethyl 3-[4-(ethoxycarbonyl)phenyl]-3,4-dihydroquinazoline-6-carboxylate Acta Crystallographica Section E 63(1) (2007) o308-o310
Space group: P 1 c 1
Cell volume: 1670.2
Cell parameters: 19.875; 7.393; 11.529; 90; 99.622; 90;

COD ID: 2211874

Formula: - C6 H5 Cl N2 O2 -
Comments: Yang, Yuan; Englert, Ulli; Li, Qi 4-Chloro-2-nitroaniline Acta Crystallographica Section E 63(1) (2007) o114-o116
Space group: P 1 c 1
Cell volume: 723.8
Cell parameters: 11.272; 3.8023; 17.016; 90; 97.051; 90;

COD ID: 2211932

Formula: - C14 H12 Cl N O -
Comments: Zhang, Xin-Li; Li, Zong-Xiao 4-Chloro-2-(p-tolyliminomethyl)phenol Acta Crystallographica Section E 63(1) (2007) o319-o320
Space group: P 1 c 1
Cell volume: 593.7
Cell parameters: 13.846; 6.986; 6.176; 90; 96.363; 90;

COD ID: 2211990

Formula: - C10 H9 Cr F N2 O3 -
Comments: Özyürek, Cengiz; Şendil, Kıvılcım; Dilek, Nefise; Ocak Iskeleli, Nazan 2,2'-Bipyridinium fluorotrioxochromate(VI) Acta Crystallographica Section E 63(2) (2007) m613-m614
Space group: P 1 c 1
Cell volume: 561.59
Cell parameters: 5.9765; 13.1069; 7.276; 90; 99.829; 90;

COD ID: 2212371

Formula: - C14 H17 N O -
Comments: Hoong-Kun Fun; Yong-Miao Shen; Jian-Hua Xu; Suchada Chantrapromma 3-Amino-5,5-dimethyl-2-phenylcyclohex-2-en-1-one Acta Crystallographica Section E 63(2) (2007) o462-o464
Space group: P 1 c 1
Cell volume: 1217.87
Cell parameters: 6.1044; 10.1495; 20.4177; 90; 105.691; 90;

COD ID: 2212563

Formula: - C14 H8 Mo N2 O4 -
Comments: Braga, Susana S.; Coelho, Ana C.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. (2,2'-Bipyridine)tetracarbonylmolybdenum(0) Acta Crystallographica Section E 63(3) (2007) m780-m782
Space group: P 1 c 1
Cell volume: 672.42
Cell parameters: 8.9411; 6.3404; 12.9039; 90; 113.189; 90;

COD ID: 2212758

Formula: - C14 H12 N2 O2 -
Comments: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Narayana, B.; Vijesh, A. M.; Yathirajan, H. S. (E)-2-Hydroxy-5-methyl-3-[(2-pyridylimino)methyl]benzaldehyde Acta Crystallographica Section E 63(4) (2007) o1916-o1918
Space group: P 1 c 1
Cell volume: 606.71
Cell parameters: 7.4049; 4.2957; 20.154; 90; 108.847; 90;

COD ID: 2212792

Formula: - C8 H7 Cl N2 O3 -
Comments: B. Thimme Gowda; Sabine Foro; Hartmut Fuess 2-Chloro-N-(2-nitrophenyl)acetamide Acta Crystallographica Section E 63(4) (2007) o1975-o1976
Space group: P 1 c 1
Cell volume: 1843.7
Cell parameters: 16.386; 3.9388; 28.566; 90; 90.272; 90;

COD ID: 2213026

Formula: - C15 H14 N2 O2 -
Comments: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa; Narayana, B.; Vijesh, A. M.; Yathirajan, H. S. (E)-2-Hydroxy-5-methyl-3-[(4-methyl-2-pyridyl)iminomethyl]benzaldehyde Acta Crystallographica Section E 63(4) (2007) o1996-o1998
Space group: P 1 c 1
Cell volume: 658.45
Cell parameters: 7.4936; 4.5019; 20.677; 90; 109.273; 90;

COD ID: 2213167

Formula: - C15 H8 Br Cl2 F O -
Comments: V. Dhanasekaran; D. Gayathri; D. Velmurugan; K. Ravikumar; M. S. Karthikeyan 2-Bromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylprop-2-en-1-one Acta Crystallographica Section E 63(5) (2007) o2309-o2310
Space group: P 1 c 1
Cell volume: 730.52
Cell parameters: 6.5423; 14.3317; 7.804; 90; 93.284; 90;

COD ID: 2213208

Formula: - C25 H22 Br N O5 S -
Comments: Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil 2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate Acta Crystallographica Section E 63(5) (2007) o2124-o2126
Space group: P 1 c 1
Cell volume: 1114.4
Cell parameters: 7.942; 6.751; 21.964; 90; 108.861; 90;

COD ID: 2213297

Formula: - C19 H15 F N2 O2 -
Comments: Yathirajan, H. S.; Narayana, B.; Sunil, K.; Sarojini, B. K.; Bolte, Michael N'-[(1E)-(4-Fluorophenyl)methylene]-6-methoxy-2-naphthohydrazide Acta Crystallographica Section E 63(5) (2007) o2565-o2565
Space group: P 1 c 1
Cell volume: 795.79
Cell parameters: 15.681; 5.6574; 9.2758; 90; 104.746; 90;

COD ID: 2213455

Formula: - C34 H24 Cu N2 O2 -
Comments: Jian-Fang Dong; Lian-Zhi Li; Li-Wei Gao; Tao Xu; Da-Qi Wang Bis[2-(1-naphthyliminomethyl)phenolato-κ^2^N,O]copper(II) Acta Crystallographica Section E 63(5) (2007) m1375-m1376
Space group: P 1 c 1
Cell volume: 1301.7
Cell parameters: 8.66; 12.19; 12.496; 90; 99.317; 90;

COD ID: 2213639

Formula: - C24 H21 N3 O4 S -
Comments: Chen, Xin; Yu, Ming (E)-2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylimino)methylene]phenyl benzenesulfonate Acta Crystallographica Section E 63(6) (2007) o2936-o2938
Space group: P 1 c 1
Cell volume: 1037.5
Cell parameters: 8.822; 10.793; 11.029; 90; 98.896; 90;

COD ID: 2213750

Formula: - C6 H7 N O2 S -
Comments: B. Thimme Gowda; Roopa Nayak; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess Benzenesulfonamide Acta Crystallographica Section E 63(6) (2007) o2967-o2967
Space group: P 1 c 1
Cell volume: 352.53
Cell parameters: 8.304; 5.534; 8.237; 90; 111.36; 90;

COD ID: 2214281

Formula: - C18 H14 N2 -
Comments: Ming-Wu Ding; Yang-Gen Hu; Ming-Guo Liu 2-(1-Naphthylmethyl)-1H-benzo[d]imidazole Acta Crystallographica Section E 63(7) (2007) o3184-o3184
Space group: P 1 c 1
Cell volume: 697.2
Cell parameters: 8.4578; 9.0329; 9.6474; 90; 108.932; 90;

COD ID: 2214354

Formula: - C19 H16 N4 Ni O S -
Comments: Zi-Ying Cao; Deng, Zhao-Peng; Gao, Shan [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato-κ^3^S,N^1^,O](pyridine-κN)nickel(II) Acta Crystallographica Section E 63(7) (2007) m1961-m1962
Space group: P 1 c 1
Cell volume: 1745.2
Cell parameters: 5.7294; 12.924; 23.683; 90; 95.64; 90;

COD ID: 2214436

Formula: - C19 H21 N O3 -
Comments: P. S. Patil; Suchada Chantrapromma; Hoong-Kun Fun; S. M. Dharmaprakash 1-(3,4-Dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one Acta Crystallographica Section E 63(7) (2007) o3253-o3254
Space group: P 1 c 1
Cell volume: 3254.34
Cell parameters: 10.8945; 9.7106; 32.6158; 90; 109.412; 90;

COD ID: 2214469

Formula: - C17 H11 Co N3 O4 -
Comments: Hui-Hua Song; Ya-Juan Li Poly[[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ~3~-pyridine-3,4-dicarboxylato-κ^4^N:O^2^:O^4^,O^4'^] Acta Crystallographica Section E 63(7) (2007) m1789-m1789
Space group: P 1 c 1
Cell volume: 734
Cell parameters: 7.6088; 9.3094; 12.27; 90; 122.38; 90;

COD ID: 2214507

Formula: - C42 H43 O4 P3 -
Comments: Grigoriev, Mikhail S.; Pisareva, Svetlana A.; Safiulina, Alfiya M.; Nifant'ev, Eduard E. 1,1,1-Tris[(diphenylphosphoryl)methyl]propane monohydrate Acta Crystallographica Section E 63(8) (2007) o3441-o3442
Space group: P 1 c 1
Cell volume: 1793.98
Cell parameters: 9.5303; 10.4028; 18.0951; 90; 90.1433; 90;

COD ID: 2214552

Formula: - C22 H28 N6 S2 -
Comments: Neuba, Adam; Flörke, Ulrich; Henkel, Gerald N,N'-Bis(1,3-dimethylimidazolidin-2-ylidene)-2,2'-dithiodianiline Acta Crystallographica Section E 63(8) (2007) o3476-o3477
Space group: P 1 c 1
Cell volume: 1110.8
Cell parameters: 8.2794; 10.1065; 13.7018; 90; 104.333; 90;

COD ID: 2214732

Formula: - C10 H12 O5 -
Comments: Ghulam Qadeer; Nasim Hasan Rama; Murat Tas̨; Okan Zafer Yes̨ilel; Wai-Yeung Wong 3,4,5-Trimethoxybenzoic acid Acta Crystallographica Section E 63(8) (2007) o3456-o3456
Space group: P 1 c 1
Cell volume: 1014.53
Cell parameters: 7.3384; 8.8325; 15.756; 90; 96.576; 90;

COD ID: 2215052

Formula: - C16 H13 N O3 -
Comments: Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Veena, K.; Narayana, B. (2E)-1-(4-Methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one Acta Crystallographica Section E 63(9) (2007) o3680-o3680
Space group: P 1 c 1
Cell volume: 1314.65
Cell parameters: 5.973; 15.0731; 14.6768; 90; 95.785; 90;

COD ID: 2215640

Formula: - C6 H8 Cl2 N2 O2 Zn -
Comments: Xia Shi; Jie Zhang; Tao-Kai Ying; Guo-Liang Zhao catena-Poly[[dichloridozinc(II)]-μ-1-carboxylatomethyl-3-methylimidazolium-κ^2^O:O'] Acta Crystallographica Section E 63(10) (2007) m2603-m2603
Space group: P 1 c 1
Cell volume: 506.06
Cell parameters: 4.8362; 10.582; 10.1164; 90; 102.183; 90;

COD ID: 2215721

Formula: - C18 H14 Cl4 O2 -
Comments: Jasinski, Jerry P.; Butcher, Ray J.; Mayekar, Anil N.; Narayana, B.; Yathirajan, H. S. (2E)-3-(3,5-Dichloro-4-methoxy-2,6-dimethylphenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one Acta Crystallographica Section E 63(11) (2007) o4229-o4230
Space group: P 1 c 1
Cell volume: 899.55
Cell parameters: 7.8036; 4.3526; 26.6839; 90; 97.02; 90;

COD ID: 2215831

Formula: - C6 H5 F N2 O4 -
Comments: Qiao-Chu Zhang; Zhan Shu; Liang Shen; Qi Wang; Zhi-Min Jin A second polymorph of 1-(carboxymethyl)-5-fluorouracil Acta Crystallographica Section E 63(11) (2007) o4214-o4214
Space group: P 1 c 1
Cell volume: 393.4
Cell parameters: 6.809; 4.84; 11.946; 90; 92.218; 90;

COD ID: 2216348

Formula: - C15 H13 N5 O2 -
Comments: Zhi-Qiang Shi; Ning-Ning Ji; Ze-Bao Zheng; Ji-Kun Li 2-(1H-Benzotriazol-1-yl)-N-(2-hydroxybenzylidene)acetohydrazide Acta Crystallographica Section E 63(12) (2007) o4642-o4642
Space group: P 1 c 1
Cell volume: 726.3
Cell parameters: 10.644; 4.4834; 15.807; 90; 105.672; 90;

COD ID: 2216419

Formula: - C22 H14 Cl2 O -
Comments: Guo-Wu Rao; Zhi-Yan Hu; Ren-Hua Zheng; Ji-Zhong Yan 9-Benzylidene-2,7-dichloro-4-oxiranyl-9H-fluorene Acta Crystallographica Section E 63(12) (2007) o4786-o4786
Space group: P 1 c 1
Cell volume: 865.4
Cell parameters: 4.486; 20.379; 9.497; 90; 94.651; 90;

COD ID: 2216698

Formula: - C26 H25 N O5 S -
Comments: Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate Acta Crystallographica Section E 63(12) (2007) o4928-o4929
Space group: P 1 c 1
Cell volume: 1115.49
Cell parameters: 6.9237; 11.1007; 15.1376; 90; 106.507; 90;

COD ID: 2216964

Formula: - C17 H12 Cl N3 O2 -
Comments: Feng Zhi 6-Chloro-N'-(2-hydroxy-1-naphthylmethylene)nicotinohydrazide Acta Crystallographica Section E 64(1) (2008) o150-o150
Space group: P 1 c 1
Cell volume: 737.9
Cell parameters: 4.745; 6.042; 25.752; 90; 91.93; 90;

COD ID: 2217009

Formula: - C14 H16 N2 O4 -
Comments: Ling Ye 4,4'-Bipyridine acetic acid disolvate Acta Crystallographica Section E 64(1) (2008) o46-o46
Space group: P 1 c 1
Cell volume: 710.8
Cell parameters: 3.893; 8.181; 22.563; 90; 98.46; 90;

COD ID: 2218618

Formula: - C15 H15 N O -
Comments: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut N-(2,6-Dimethylphenyl)benzamide Acta Crystallographica Section E 64(7) (2008) o1299
Space group: P 1 c 1
Cell volume: 1280.25
Cell parameters: 16.4389; 8.2903; 9.4902; 90; 98.165; 90;

COD ID: 2218837

Formula: - C13 H8 Cl3 N O -
Comments: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut 2-Chloro-N-(2,3-dichlorophenyl)benzamide Acta Crystallographica Section E 64(7) (2008) o1342
Space group: P 1 c 1
Cell volume: 1292
Cell parameters: 12.31; 7.8307; 14.407; 90; 111.52; 90;

COD ID: 2219021

Formula: - C13 H10 F3 N3 O6 S -
Comments: Li, Jiang-Sheng; Fan, Mei-Lian; Li, Wen-Sheng; Liu, Wei-Dong 4-(2-Nitrobenzenesulfonamido)pyridinium trifluoroacetate Acta Crystallographica Section E 64(8) (2008) o1459
Space group: P 1 c 1
Cell volume: 800.7
Cell parameters: 10.666; 5.0619; 14.848; 90; 92.823; 90;

COD ID: 2219028

Formula: - C15 H13 N3 O2 -
Comments: Bao, Feng-Yu 1-(4-Nitrophenyl)-2-(3-phenylallylidene)hydrazine Acta Crystallographica Section E 64(8) (2008) o1531
Space group: P 1 c 1
Cell volume: 683.12
Cell parameters: 6.1011; 12.4505; 9.0076; 90; 93.273; 90;

COD ID: 2219296