Crystallography Open Database
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Searching space group like 'P n a 21'
| COD ID: 1000098 | |
| CIF file | Formula: - Al F6 Na Sr - Comments: Hemon, A; Le Bail, A; Courbion, G Synthesis and crystal structure of NaSrAlF~6~ European Journal of Solid State Inorganic Chemistry 27 (1990) 905-912 Space group: P n a 21 Cell volume: 915.9 Cell parameters: 18.303; 5.3122; 9.42; 90; 90; 90; |
| COD ID: 1000298 | |
| CIF file | Formula: - K O5 Sb Si - Comments: Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y KSbOSiO~4~: a new isomorphous derivative of KTiOPO~4~ European Journal of Solid State Inorganic Chemistry 27 (1990) 845-854 Space group: P n a 21 Cell volume: 893.7 Cell parameters: 13.005; 6.4748; 10.614; 90; 90; 90; |
| COD ID: 1000359 | |
| CIF file | Formula: - F Fe H4 N O4 P - Comments: Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G NH~4~FePO~4~F: structural study and magnetic properties Journal of Solid State Chemistry 111 (1994) 390-396 Space group: P n a 21 Cell volume: 894.2 Cell parameters: 12.993; 6.468; 10.64; 90; 90; 90; |
| COD ID: 1000442 | |
| CIF file | Formula: - Al2 O3 - Comments: Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study Journal of Materials Chemistry 7(6) (1997) 1049-1056 Space group: P n a 21 Cell volume: 361.3 Cell parameters: 4.8437; 8.33; 8.9547; 90; 90; 90; |
| COD ID: 1001371 | |
| CIF file | Formula: - K2 O17 P4 V3 - Comments: Leclaire, A; Chahboun, H; Groult, D; Raveau, B Concerning the Intersecting Tunnel Structure of a Novel Vanadyldiphosphate K~2~ (V O~3~) (P~2~ O~7~)~2~ and Its Structural Relationships with Other V(V) and V(IV) Phosphates and Relatives Journal of Solid State Chemistry 77 (1988) 170-179 Space group: P n a 21 Cell volume: 1440.8 Cell parameters: 17.407; 11.3438; 7.2964; 90; 90; 90; |
| COD ID: 1004067 | |
| CIF file | Formula: - Nd O4 Os - Comments: Abraham, F; Trehoux, J; Thomas, D Crystal structure of Nd Os O~4~ a new Ba Zn F~4~ -type compound Journal of Inorganic and Nuclear Chemistry 42 (1980) 1627-1630 Space group: P n a 21 Cell volume: 615.6 Cell parameters: 14.859; 7.55; 5.487; 90; 90; 90; |
| COD ID: 1006083 | |
| CIF file | Formula: - Cu2 Ho2 O5 - Comments: Garcia-Munoz, J L; Rodriguez-Carvajal, J Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction Journal of Solid State Chemistry 115 (1995) 324-331 Space group: P n a 21 Cell volume: 471.4 Cell parameters: 10.8096; 3.4962; 12.4735; 90; 90; 90; |
| COD ID: 1006084 | |
| CIF file | Formula: - Cu2 O5 Y2 - Comments: Garcia-Munoz, J L; Rodriguez-Carvajal, J Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction Journal of Solid State Chemistry 115 (1995) 324-331 Space group: P n a 21 Cell volume: 469.8 Cell parameters: 10.796; 3.494; 12.4546; 90; 90; 90; |
| COD ID: 1006085 | |
| CIF file | Formula: - Cu2 Er2 O5 - Comments: Garcia-Munoz, J L; Rodriguez-Carvajal, J Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction Journal of Solid State Chemistry 115 (1995) 324-331 Space group: P n a 21 Cell volume: 466.2 Cell parameters: 10.7839; 3.4745; 12.4434; 90; 90; 90; |
| COD ID: 1006086 | |
| CIF file | Formula: - Cu2 O5 Tm2 - Comments: Garcia-Munoz, J L; Rodriguez-Carvajal, J Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction Journal of Solid State Chemistry 115 (1995) 324-331 Space group: P n a 21 Cell volume: 459.2 Cell parameters: 10.7353; 3.4575; 12.3704; 90; 90; 90; |
| COD ID: 1006087 | |
| CIF file | Formula: - Cu2 O5 Yb2 - Comments: Garcia-Munoz, J L; Rodriguez-Carvajal, J Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction Journal of Solid State Chemistry 115 (1995) 324-331 Space group: P n a 21 Cell volume: 455.3 Cell parameters: 10.729; 3.4355; 12.3531; 90; 90; 90; |
| COD ID: 1007233 | |
| CIF file | Formula: - Ca4 H32 K2 O46 P10 - Comments: Averbuch-Pouchot, M-T; Durif, A; Schuelke, U The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O) European Journal of Solid State Inorganic Chemistry 33 (1996) 1091-1100 Space group: P n a 21 Cell volume: 4635.9 Cell parameters: 14.773; 15.758; 19.91409; 90; 90; 90; |
| COD ID: 1008187 | |
| CIF file | Formula: - F2 O4 Rb S Sb - Comments: Fourcade, R; Bourgault, M; Bonnet, B; Ducourant, B Synthese et structure du sulfate double M Sb F~2~ S O~4~ (M = Rb,Cs) Journal of Solid State Chemistry 43 (1982) 81-86 Space group: P n a 21 Cell volume: 574.9 Cell parameters: 9.601; 11.51; 5.202; 90; 90; 90; |
| COD ID: 1008191 | |
| CIF file | Formula: - Fe Na O2 - Comments: Bertaut, E. F.; Delapalme, A.; Bassi, G. Structure magnétique de β-FeNaO~2~ et affinement des positions atomique Journal de Physique (Paris) 25(5) (1964) 545-549 Space group: P n a 21 Cell volume: 217.6 Cell parameters: 5.672; 7.136; 5.377; 90; 90; 90; |
| COD ID: 1008319 | |
| CIF file | Formula: - Ba1.14 K0.72 S4 V - Comments: Vincent, H; Anne, M; Chang, A; Marcus, J Synthese et structure cristalline de Ba~1.14~ K~.72~ V S~4~ Journal of Solid State Chemistry 61 (1986) 332-337 Space group: P n a 21 Cell volume: 748.4 Cell parameters: 9.158; 12.144; 6.729; 90; 90; 90; |
| COD ID: 1008335 | |
| CIF file | Formula: - As H2 Li O4 - Comments: Fanchon, E.; Vicat, J.; Tran Qui, Duc; Boudjada, A. Absolute structure of LiH~2~AsO~4~ Acta Crystallographica, Section C: Crystal Structure Communications 43(6) (1987) 1022-1025 Space group: P n a 21 Cell volume: 361.8 Cell parameters: 6.416; 7.727; 7.298; 90; 90; 90; |
| COD ID: 1008807 | |
| CIF file | Formula: - K0.008 Na0.992 O5 P Ti - Comments: Dahaoui, S; Hansen, N K; Menaert, B Na Ti O P O4 and K Ti O P O4 at 110 K Acta Crystallographica C (39,1983-) 53 (1997) 1173-1176 Space group: P n a 21 Cell volume: 829.2 Cell parameters: 12.555; 6.258; 10.554; 90; 90; 90; |
| COD ID: 1008834 | |
| CIF file | Formula: - Er2 F7 K - Comments: Aleonard, S; le Fur, Y; Gorius, M F; Roux, M T Structure cristalline de la phase $-beta-K Er2 F7. Composes isotypes Journal of Solid State Chemistry 34 (1980) 79-89 Space group: P n a 21 Cell volume: 1231.8 Cell parameters: 11.82; 13.333; 7.816; 90; 90; 90; |
| COD ID: 1008927 | |
| CIF file | Formula: - Fe Na O2 - Comments: Bertaut, F.; Delapalme, A.; Bassi, G. Structure magnetique de β-FeNaO~2~. Raffinement des paramèters atomiques Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 257 (1963) 421-424 Space group: P n a 21 Cell volume: 217.6 Cell parameters: 5.672; 7.136; 5.377; 90; 90; 90; |
| COD ID: 1009034 | |
| CIF file | Formula: - Fe Na O2 - Comments: Bertaut, F; Blum, P Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 239 (1954) 429-431 Space group: P n a 21 Cell volume: 217.6 Cell parameters: 5.672; 7.136; 5.377; 90; 90; 90; |
| COD ID: 1011144 | |
| CIF file | Formula: - O4 Sb Ta - Comments: Dihlstroem, K Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4 Zeitschrift fuer Anorganische und Allgemeine Chemie 239 (1938) 57-64 Space group: P n a 21 Cell volume: 320.9 Cell parameters: 4.916; 5.542; 11.78; 90; 90; 90; |
| COD ID: 1100022 | |
| CIF file | Formula: - Ca O4 Si Sr - Comments: Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V. The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~ Doklady Akademii Nauk SSSR 267 (1982) 641-644 Space group: P n a 21 Cell volume: 1109.9 Cell parameters: 20.871; 9.496; 5.6; 90; 90; 90; |
| COD ID: 1100141 | |
| CIF file | Formula: - C18 H16 O3 - Comments: () Space group: P n a 21 Cell volume: 1368.8 Cell parameters: 7.4026; 15.023; 12.308; 90; 90; 90; |
| COD ID: 1100230 | |
| CIF file | Formula: - C20 H20 Br2 N4 Ni - Comments: Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~ Zeitschrift fuer Anorganische und Allgemeine Chemie 627(8) (2001) 1928-1931 Space group: P n a 21 Cell volume: 2124.27 Cell parameters: 15.929; 9.438; 14.13; 90; 90; 90; |
| COD ID: 1100235 | |
| CIF file | Formula: - C14 H22 O2 - Comments: Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus Synthesis of a Mesogenic Compound with a Defined Conformation Synlett 2001(SI) (2001) 960-963 Space group: P n a 21 Cell volume: 1274.19 Cell parameters: 10.608; 18.5975; 6.4587; 90; 90; 90; |
| COD ID: 1100279 | |
| CIF file | Formula: - C38 H56 Li2 N4 O4 S2 - Comments: Boche, Gernot; Marsch, Michael; Harms, Klaus; Sheldrick, George M. X-Ray Structure Determination of [α-(Phenylsulfonyl)benzyllithium-Tetramethylethylenediamine]~2~: Chirality of an α-Sulfonyl "Carbanion" Angewandte Chemie, International Edition in English 24(7) (1985) 573-575 Space group: P n a 21 Cell volume: 4058.03 Cell parameters: 17.051; 10.017; 23.759; 90; 90; 90; |
| COD ID: 1100348 | |
| CIF file | Formula: - C40 H84 Li4 N8 - Comments: Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus; Nudelman, Norma E. S. [Lithium Piperidide-Piperidine]~4~: Crystal Structure of an Oligomeric 1:1 Lithium Amide-Amine Mixed Complex, an Intermediate in the N-Lithiation of Amines Angewandte Chemie, International Edition in English 31(9) (1992) 1205-1207 Space group: P n a 21 Cell volume: 4462.59 Cell parameters: 22.077; 12.23; 16.528; 90; 90; 90; |
| COD ID: 1100407 | |
| CIF file | Formula: - C18 H15 Cl2 I N P - Comments: Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K. Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~ Zeitschrift fuer Anorganische und Allgemeine Chemie 621(9) (1995) 1489-1495 Space group: P n a 21 Cell volume: 1856.76 Cell parameters: 15.228; 14.083; 8.658; 90; 90; 90; |
| COD ID: 1100475 | |
| CIF file | Formula: - C28 H65 B3 Cl8 N3 P3 - Comments: Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D. Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^ Zeitschrift fuer Anorganische und Allgemeine Chemie 622(10) (1996) 1692-1700 Space group: P n a 21 Cell volume: 4442.07 Cell parameters: 19.765; 8.602; 26.127; 90; 90; 90; |
| COD ID: 1100484 | |
| CIF file | Formula: - C11 H24 Cl4 N2 Nb P - Comments: Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U. Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie 622(11) (1996) 1927-1934 Space group: P n a 21 Cell volume: 1904.02 Cell parameters: 16.272; 8.763; 13.353; 90; 90; 90; |
| COD ID: 1100680 | |
| CIF file | Formula: - C15 H14 N2 O2 - Comments: Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x61-x62 Space group: P n a 21 Cell volume: 2758.7 Cell parameters: 23.516; 5.364; 21.872; 90; 90; 90; |
| COD ID: 1100802 | |
| CIF file | Formula: - C17 H30 Cl F6 N6 O3 P3 Ru - Comments: Mebi, Charles A.; Frost, Brian J. Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H Organometallics 24(10) (2005) 2339-2346 Space group: P n a 21 Cell volume: 2529.9 Cell parameters: 26.2152; 14.954; 6.4535; 90; 90; 90; |
| COD ID: 1100900 | |
| CIF file | Formula: - C44 H92 Ge I2 Li2 N2 O3 P2 Si4 - Comments: Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W. An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study Organometallics 24(9) (2005) 2157-2167 Space group: P n a 21 Cell volume: 6099.7 Cell parameters: 48.748; 11.2312; 11.141; 90; 90; 90; |
| COD ID: 1101219 | |
| CIF file | Formula: - C258 H579 N17 O156 Si4 Ti8 W40 - Comments: Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry 45(5) (2006) 2347-2356 Space group: P n a 21 Cell volume: 41998.1 Cell parameters: 29.166; 38.497; 37.405; 90; 90; 90; |
| COD ID: 1501746 | |
| CIF file | Formula: - C9 H40 F N15 O12 S3 - Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284 Space group: P n a 21 Cell volume: 3005.6 Cell parameters: 20.353; 14.179; 10.415; 90; 90; 90; |
| COD ID: 1501915 | |
| CIF file | Formula: - C32 H23 N - Comments: Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction. Organic letters 13(3) (2011) 478-481 Space group: P n a 21 Cell volume: 2312.8 Cell parameters: 17.827; 11.746; 11.045; 90; 90; 90; |
| COD ID: 1501938 | |
| CIF file | Formula: - C24 H28 O6 - Comments: Stewart, Craig; McDonald, Robert; West, F. G. Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift. Organic letters 13(4) (2011) 720-723 Space group: P n a 21 Cell volume: 2064.37 Cell parameters: 12.6475; 11.3248; 14.4129; 90; 90; 90; |
| COD ID: 1502099 | |
| CIF file | Formula: - C34 H30 O6 S3 - Comments: Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G. Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II). Organic letters 13(9) (2011) 2364-2367 Space group: P n a 21 Cell volume: 2958.3 Cell parameters: 20.8115; 17.7466; 8.0099; 90; 90; 90; |
| COD ID: 1502136 | |
| CIF file | Formula: - C28 H19 P S - Comments: Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction. Organic letters 13(8) (2011) 2130-2133 Space group: P n a 21 Cell volume: 2013.3 Cell parameters: 9.4741; 12.37; 17.179; 90; 90; 90; |
| COD ID: 1502149 | |
| CIF file | Formula: - C15 H21 Br N2 O2 S - Comments: Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung N-bromosuccinimide initiated one-pot synthesis of imidazoline. Organic letters 13(9) (2011) 2448-2451 Space group: P n a 21 Cell volume: 1712.6 Cell parameters: 14.897; 7.9148; 14.525; 90; 90; 90; |
| COD ID: 1502240 | |
| CIF file | Formula: - C19 H17 N O2 S - Comments: Li, Shaoyu; Luo, Yong; Wu, Jie An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane. Organic letters 13(12) (2011) 3190-3193 Space group: P n a 21 Cell volume: 1583.1 Cell parameters: 14.78; 17.617; 6.08; 90; 90; 90; |
| COD ID: 1502378 | |
| CIF file | Formula: - C16 H19 Br N2 O2 - Comments: Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F. Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds. Organic letters 13(17) (2011) 4542-4545 Space group: P n a 21 Cell volume: 1554 Cell parameters: 9.8637; 7.3755; 21.361; 90; 90; 90; |
| COD ID: 1502428 | |
| CIF file | Formula: - C23 H20 N2 O3 - Comments: Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines. Organic letters 13(17) (2011) 4668-4671 Space group: P n a 21 Cell volume: 1941.13 Cell parameters: 21.9909; 13.9411; 6.3316; 90; 90; 90; |
| COD ID: 1502513 | |
| CIF file | Formula: - C23 H17 N - Comments: Ren, Zhi-Hui; Zhang, Zhi-Yuan; Yang, Bing-Qin; Wang, Yao-Yu; Guan, Zheng-Hui Copper-catalyzed coupling of oxime acetates with aldehydes: a new strategy for synthesis of pyridines. Organic letters 13(19) (2011) 5394-5397 Space group: P n a 21 Cell volume: 1647.4 Cell parameters: 7.468; 19.561; 11.277; 90; 90; 90; |
| COD ID: 1502535 | |
| CIF file | Formula: - C21 H20 N2 O2 S - Comments: Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines. Organic letters 13(22) (2011) 5972-5975 Space group: P n a 21 Cell volume: 1835.4 Cell parameters: 17.577; 7.597; 13.745; 90; 90; 90; |
| COD ID: 1502770 | |
| CIF file | Formula: - C23 H17 I2 N O2 S2 - Comments: Song, Changsik; Walker, D. Barney; Swager, Timothy M. Conducting Thiophene-Annulated Azepine Polymers Macromolecules 43(12) (2010) 5233 Space group: P n a 21 Cell volume: 2238.86 Cell parameters: 8.628; 14.8751; 17.4444; 90; 90; 90; |
| COD ID: 1502903 | |
| CIF file | Formula: - C12 H12 Br N O3 S - Comments: Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M. Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry. Organic letters 12(9) (2010) 1944-1947 Space group: P n a 21 Cell volume: 1262.96 Cell parameters: 20.724; 5.8436; 10.4288; 90; 90; 90; |
| COD ID: 1503025 | |
| CIF file | Formula: - C26 H20 N2 - Comments: Candito, David A.; Lautens, Mark Exploiting the chemistry of strained rings: synthesis of indoles via domino reaction of aryl iodides with 2H-azirines. Organic letters 12(15) (2010) 3312-3315 Space group: P n a 21 Cell volume: 1869.72 Cell parameters: 18.6734; 8.9202; 11.2248; 90; 90; 90; |
| COD ID: 1503143 | |
| CIF file | Formula: - C18 H20 Cl3 N O6 S2 - Comments: Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups. Organic letters 12(16) (2010) 3690-3692 Space group: P n a 21 Cell volume: 2231.66 Cell parameters: 11.6761; 20.3879; 9.3747; 90; 90; 90; |
| COD ID: 1503145 | |
| CIF file | Formula: - C14 H18 Cl3 N O6 S - Comments: Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups. Organic letters 12(16) (2010) 3690-3692 Space group: P n a 21 Cell volume: 1934.17 Cell parameters: 22.6616; 6.417; 13.3006; 90; 90; 90; |
| COD ID: 1503231 | |
| CIF file | Formula: - C29 H46 N4 O3 - Comments: Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes. Organic letters 12(20) (2010) 4592-4595 Space group: P n a 21 Cell volume: 2816.34 Cell parameters: 16.092; 13.971; 12.527; 90; 90; 90; |
| COD ID: 1503232 | |
| CIF file | Formula: - C29 H44 Cl2 N4 O3 - Comments: Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes. Organic letters 12(20) (2010) 4592-4595 Space group: P n a 21 Cell volume: 2988.5 Cell parameters: 16.1444; 14.8471; 12.468; 90; 90; 90; |
| COD ID: 1503233 | |
| CIF file | Formula: - C29 H45 Br2 N3 O - Comments: Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes. Organic letters 12(20) (2010) 4592-4595 Space group: P n a 21 Cell volume: 2965.5 Cell parameters: 15.8418; 14.3022; 13.0883; 90; 90; 90; |
| COD ID: 1503253 | |
| CIF file | Formula: - C18 H13 N O Se - Comments: Balkrishna, Shah Jaimin; Bhakuni, Bhagat Singh; Chopra, Deepak; Kumar, Sangit Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles. Organic letters 12(23) (2010) 5394-5397 Space group: P n a 21 Cell volume: 1398.04 Cell parameters: 12.3938; 18.8824; 5.9739; 90; 90; 90; |
| COD ID: 1503337 | |
| CIF file | Formula: - C16 H16 N2 S - Comments: Ramana, Tamminana; Saha, Prasenjit; Das, Manas; Punniyamurthy, Tharmalingam Copper-catalyzed domino intra- and intermolecular C-S cross-coupling reactions: synthesis of 2-(arylthio)arylcyanamides. Organic letters 12(1) (2010) 84-87 Space group: P n a 21 Cell volume: 1491.87 Cell parameters: 22.1067; 8.7972; 7.6712; 90; 90; 90; |
| COD ID: 1503356 | |
| CIF file | Formula: - C16 H17 N O3 S2 - Comments: Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun Polarity-reversible conjugate addition tuned by remote electronic effects Organic Letters 12(2) (2010) 244-247 Space group: P n a 21 Cell volume: 1589.7 Cell parameters: 11.86; 21.361; 6.275; 90; 90; 90; |
| COD ID: 1503391 | |
| CIF file | Formula: - C44 H30 - Comments: Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D. Hexaphenylbenzenes as potential acetylene sponges. Organic letters 12(2) (2010) 380-383 Space group: P n a 21 Cell volume: 3123 Cell parameters: 11.5889; 21.2681; 12.6708; 90; 90; 90; |
| COD ID: 1503425 | |
| CIF file | Formula: - C22 H24 O - Comments: Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization. Organic letters 12(5) (2010) 936-939 Space group: P n a 21 Cell volume: 1780.3 Cell parameters: 14.9632; 18.7349; 6.3505; 90; 90; 90; |
| COD ID: 1503488 | |
| CIF file | Formula: - C19 H20 N2 O3 S - Comments: Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M. Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks. Organic letters 14(1) (2012) 66-69 Space group: P n a 21 Cell volume: 1784.21 Cell parameters: 19.9856; 9.602; 9.2975; 90; 90; 90; |
| COD ID: 1503672 | |
| CIF file | Formula: - C7 H9 N5 S - Comments: Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry 52(16) (2009) 5032-5043 Space group: P n a 21 Cell volume: 1773.95 Cell parameters: 18.5732; 5.5273; 17.2799; 90; 90; 90; |
| COD ID: 1503850 | |
| CIF file | Formula: - C12 H17 N O - Comments: Ueki, Hisanori; Soloshonok, Vadim A. New sterically driven mode for generation of helical chirality. Organic letters 11(8) (2009) 1797-1800 Space group: P n a 21 Cell volume: 2291.2 Cell parameters: 11.599; 11.489; 17.193; 90; 90; 90; |
| COD ID: 1503855 | |
| CIF file | Formula: - C25 H29 N O5 - Comments: Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor. Organic letters 11(9) (2009) 1939-1942 Space group: P n a 21 Cell volume: 2231.1 Cell parameters: 12.3843; 25.9281; 6.9484; 90; 90; 90; |
| COD ID: 1504088 | |
| CIF file | Formula: - C18 H18 Cl3 N O3 - Comments: Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H. Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans. Organic letters 11(18) (2009) 4044-4047 Space group: P n a 21 Cell volume: 1915.2 Cell parameters: 10.096; 14.429; 13.147; 90; 90; 90; |
| COD ID: 1504091 | |
| CIF file | Formula: - C21 H20 O - Comments: Valiulin, Roman A.; Kutateladze, Andrei G. Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems. Organic letters 11(17) (2009) 3886-3889 Space group: P n a 21 Cell volume: 1490.77 Cell parameters: 21.2315; 6.5111; 10.7839; 90; 90; 90; |
| COD ID: 1504123 | |
| CIF file | Formula: - C21 H12 N2 O - Comments: Haag, Benjamin; Peng, Zhihua; Knochel, Paul Preparation of polyfunctional indazoles and heteroarylazo compounds using highly functionalized zinc reagents. Organic letters 11(19) (2009) 4270-4273 Space group: P n a 21 Cell volume: 1426.83 Cell parameters: 15.884; 4.626; 19.4181; 90; 90; 90; |
| COD ID: 1504172 | |
| CIF file | Formula: - C13 H20 N2 Si - Comments: Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes. Organic letters 11(19) (2009) 4458-4461 Space group: P n a 21 Cell volume: 1391.2 Cell parameters: 10.6; 14.995; 8.7526; 90; 90; 90; |
| COD ID: 1504235 | |
| CIF file | Formula: - C24 H20 O2 - Comments: Onodera, Gen; Kato, Minoru; Kawano, Ryo; Kometani, Yuri; Takeuchi, Ryo Highly regio- and stereoselective addition of 1,3-diketones to internal alkynes catalyzed by cationic iridium complex. Organic letters 11(21) (2009) 5038-5041 Space group: P n a 21 Cell volume: 1825 Cell parameters: 10.3835; 18.167; 9.6747; 90; 90; 90; |
| COD ID: 1504280 | |
| CIF file | Formula: - C18 H20 N8 O2 S2 - Comments: Avasthi, Kamlakar; Ansari, Amantullah; Tewari, Ashish K.; Kant, Ruchir; Maulik, Prakas R. Pyrazolo[3,4-d]pyrimidinophanes: convenient synthesis of a new class of cyclophane and X-ray structure of the first representative. Organic letters 11(22) (2009) 5290-5293 Space group: P n a 21 Cell volume: 2049 Cell parameters: 13.075; 16.85; 9.3; 90; 90; 90; |
| COD ID: 1504299 | |
| CIF file | Formula: - C10 H7 Br N4 O2 - Comments: Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines. Organic letters 11(23) (2009) 5502-5505 Space group: P n a 21 Cell volume: 1096.6 Cell parameters: 10.595; 7.426; 13.938; 90; 90; 90; |
| COD ID: 1504485 | |
| CIF file | Formula: - C18 H23 N O - Comments: Dunet, Guillaume; Mayer, Peter; Knochel, Paul Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds. Organic letters 10(1) (2008) 117-120 Space group: P n a 21 Cell volume: 1565.95 Cell parameters: 12.8059; 8.5365; 14.3248; 90; 90; 90; |
| COD ID: 1504797 | |
| CIF file | Formula: - C18 H20 O2 - Comments: Jin, Tienan; Yamamoto, Yoshinori Gold-catalyzed synthesis of polycyclic enones from carbon tethered 1,3-enynyl carbonyls via tandem heteroenyne metathesis and Nazarov reaction. Organic letters 10(14) (2008) 3137-3139 Space group: P n a 21 Cell volume: 1387.1 Cell parameters: 7.341; 12.153; 15.548; 90; 90; 90; |
| COD ID: 1504866 | |
| CIF file | Formula: - C17 H17 B I P - Comments: Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L. Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes. Organic letters 10(20) (2008) 4425-4428 Space group: P n a 21 Cell volume: 1620.4 Cell parameters: 17.355; 5.8125; 16.063; 90; 90; 90; |
| COD ID: 1504868 | |
| CIF file | Formula: - C17 H17 B Br P - Comments: Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L. Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes. Organic letters 10(20) (2008) 4425-4428 Space group: P n a 21 Cell volume: 1582.8 Cell parameters: 17.726; 5.6695; 15.75; 90; 90; 90; |
| COD ID: 1505002 | |
| CIF file | Formula: - C18 H16 N4 O3 - Comments: Loeppky, Richard N.; Shi, Jianzheng; Barnes, Charles L.; Geddam, Sailaja A diazonium ion cascade from the nitrosation of tolazoline, an imidazoline-containing drug. Chemical research in toxicology 21(2) (2008) 295-307 Space group: P n a 21 Cell volume: 1728.9 Cell parameters: 8.9484; 13.398; 14.421; 90; 90; 90; |
| COD ID: 1505036 | |
| CIF file | Formula: - C12 H26 Cl2 N2 O9 Pt - Comments: Reithofer, Michael R.; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Egger, Alexander; Galanski, Markus; Keppler, Bernhard K. Novel di- and tetracarboxylatoplatinum(IV) complexes. Synthesis, characterization, cytotoxic activity, and DNA platination. Journal of medicinal chemistry 50(26) (2007) 6692-6699 Space group: P n a 21 Cell volume: 2047.79 Cell parameters: 23.5231; 10.6395; 8.1822; 90; 90; 90; |
| COD ID: 1505253 | |
| CIF file | Formula: - C11 H12 Br2 - Comments: Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H. Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal. Organic letters 9(1) (2007) 113-115 Space group: P n a 21 Cell volume: 2078.5 Cell parameters: 13.0891; 10.9312; 14.527; 90; 90; 90; |
| COD ID: 1505254 | |
| CIF file | Formula: - C11 H12 Br2 - Comments: Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H. Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal. Organic letters 9(1) (2007) 113-115 Space group: P n a 21 Cell volume: 1030.6 Cell parameters: 12.886; 11.131; 7.185; 90; 90; 90; |
| COD ID: 1505274 | |
| CIF file | Formula: - C16 H19 N O4 - Comments: Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G. Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template. Organic letters 9(4) (2007) 615-618 Space group: P n a 21 Cell volume: 1373.8 Cell parameters: 7.434; 11.335; 16.304; 90; 90; 90; |
| COD ID: 1505471 | |
| CIF file | Formula: - C18 H10 N2 O3 - Comments: Liu, Wei; Buck, Matthew; Chen, Nan; Shang, Muhong; Taylor, Nicholas J.; Asoud, Jalil; Wu, Xing; Hasinoff, Brian B.; Dmitrienko, Gary I. Total synthesis of isoprekinamycin: structural evidence for enhanced diazonium ion character and growth inhibitory activity toward cancer cells. Organic letters 9(15) (2007) 2915-2918 Space group: P n a 21 Cell volume: 1358.13 Cell parameters: 19.635; 4.6545; 14.8606; 90; 90; 90; |
| COD ID: 1505541 | |
| CIF file | Formula: - C17 H21 N O5 - Comments: Isambert, Nicolas; Cruz, Montse; Arévalo, María José; Gómez, Elena; Lavilla, Rodolfo Enol esters: versatile substrates for Mannich-type multicomponent reactions. Organic letters 9(21) (2007) 4199-4202 Space group: P n a 21 Cell volume: 3258.42 Cell parameters: 18.3891; 9.4372; 18.776; 90; 90; 90; |
| COD ID: 1505790 | |
| CIF file | Formula: - C24 H28 N2 O2 - Comments: Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F. Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters Macromolecules 39(21) (2006) 7250 Space group: P n a 21 Cell volume: 4127.87 Cell parameters: 12.593; 9.041; 36.256; 90; 90; 90; |
| COD ID: 1505819 | |
| CIF file | Formula: - C25 H32 N2 O7 S - Comments: Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A. Organic letters 8(1) (2006) 27-30 Space group: P n a 21 Cell volume: 2561.5 Cell parameters: 11.972; 12.187; 17.556; 90; 90; 90; |
| COD ID: 1505882 | |
| CIF file | Formula: - C19 H17 N O4 - Comments: Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization? Organic letters 8(7) (2006) 1323-1325 Space group: P n a 21 Cell volume: 1584.9 Cell parameters: 14.582; 18.285; 5.944; 90; 90; 90; |
| COD ID: 1505909 | |
| CIF file | Formula: - C22 H14 N4 - Comments: Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak Photodimerizable ditopic ligand. Organic letters 8(10) (2006) 1987-1990 Space group: P n a 21 Cell volume: 1619.1 Cell parameters: 23.964; 6.054; 11.16; 90; 90; 90; |
| COD ID: 1505929 | |
| CIF file | Formula: - C22 H18 N2 O6 - Comments: König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M. Solid-phase synthesis of oligo(p-benzamide) foldamers. Organic letters 8(9) (2006) 1819-1822 Space group: P n a 21 Cell volume: 2038.7 Cell parameters: 16.0866; 17.8033; 7.1185; 90; 90; 90; |
| COD ID: 1506101 | |
| CIF file | Formula: - C21 H17 N2 - Comments: Magnus, Philip; Turnbull, Rachel Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles. Organic letters 8(16) (2006) 3497-3499 Space group: P n a 21 Cell volume: 1548 Cell parameters: 6.2294; 17.619; 14.104; 90; 90; 90; |
| COD ID: 1506147 | |
| CIF file | Formula: - C18 H30 O4 - Comments: Crawford, Claire; Nelson, Adam; Patel, Ian Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B. Organic letters 8(19) (2006) 4231-4234 Space group: P n a 21 Cell volume: 3546.26 Cell parameters: 15.6987; 7.7054; 29.3165; 90; 90; 90; |
| COD ID: 1506212 | |
| CIF file | Formula: - C25 H15 F12 N O2 S - Comments: Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide. Organic letters 8(20) (2006) 4625-4627 Space group: P n a 21 Cell volume: 2459.7 Cell parameters: 10.371; 16.811; 14.108; 90; 90; 90; |
| COD ID: 1506243 | |
| CIF file | Formula: - C17 H19 N O2 - Comments: Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C. Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids. Organic letters 8(21) (2006) 4959-4961 Space group: P n a 21 Cell volume: 2849.63 Cell parameters: 20.5365; 5.2508; 26.4263; 90; 90; 90; |
| COD ID: 1506288 | |
| CIF file | Formula: - C7 H10 Cl3 N3 O S - Comments: Basheer, Ahmad; Rappoport, Zvi The first example of isomeric solid amide and its enol. Organic letters 8(26) (2006) 5931-5934 Space group: P n a 21 Cell volume: 1262 Cell parameters: 9.2416; 8.772; 15.567; 90; 90; 90; |
| COD ID: 1506307 | |
| CIF file | Formula: - C32 H24 Cl2 N10 - Comments: Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms. Organic letters 8(26) (2006) 5967-5970 Space group: P n a 21 Cell volume: 3067.3 Cell parameters: 13.007; 14.042; 16.794; 90; 90; 90; |
| COD ID: 1506404 | |
| CIF file | Formula: - C20 H23 B N2 - Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443 Space group: P n a 21 Cell volume: 1716.08 Cell parameters: 16.8983; 13.5687; 7.4844; 90; 90; 90; |
| COD ID: 1506447 | |
| CIF file | Formula: - C24 H36 O2 - Comments: Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters 7(5) (2005) 917-920 Space group: P n a 21 Cell volume: 4422.87 Cell parameters: 15.0286; 7.485; 39.3182; 90; 90; 90; |
| COD ID: 1506518 | |
| CIF file | Formula: - C20 H16 N4 - Comments: Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters 7(8) (2005) 1461-1464 Space group: P n a 21 Cell volume: 1539.2 Cell parameters: 8.3581; 23.522; 7.8293; 90; 90; 90; |
| COD ID: 1506531 | |
| CIF file | Formula: - C27 H25 N - Comments: Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R. Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a "green", multicomponent reaction. Organic letters 7(8) (2005) 1525-1528 Space group: P n a 21 Cell volume: 1999.45 Cell parameters: 11.8742; 14.427; 11.6716; 90; 90; 90; |
| COD ID: 1506555 | |
| CIF file | Formula: - C20 H18 Br Cl O - Comments: Sniady, Adam; Wheeler, Kraig A.; Dembinski, Roman 5-Endo-dig electrophilic cyclization of 1,4-disubstituted but-3-yn-1-ones: regiocontrolled synthesis of 2,5-disubstituted 3-bromo- and 3-iodofurans. Organic letters 7(9) (2005) 1769-1772 Space group: P n a 21 Cell volume: 1826.5 Cell parameters: 27.093; 6.392; 10.547; 90; 90; 90; |
| COD ID: 1506668 | |
| CIF file | Formula: - C12 H11 Br O2 - Comments: Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions. Organic letters 7(17) (2005) 3789-3791 Space group: P n a 21 Cell volume: 1114.7 Cell parameters: 7.0914; 24.615; 6.3857; 90; 90; 90; |
| COD ID: 1506742 | |
| CIF file | Formula: - C24 H38 Cl2 N2 O2 - Comments: Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers. Organic letters 7(24) (2005) 5413-5415 Space group: P n a 21 Cell volume: 2500.2 Cell parameters: 12.8244; 16.1213; 12.0929; 90; 90; 90; |
| COD ID: 1506788 | |
| CIF file | Formula: - C20 H28 O3 - Comments: Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade. Organic letters 7(26) (2005) 5921-5923 Space group: P n a 21 Cell volume: 1720.4 Cell parameters: 11.07; 18.754; 8.287; 90; 90; 90; |
| COD ID: 1506819 | |
| CIF file | Formula: - C13 H9 N5 - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P n a 21 Cell volume: 1182.7 Cell parameters: 10.208; 22.983; 5.041; 90; 90; 90; |
| COD ID: 1506910 | |
| CIF file | Formula: - C22 H39 N O2 Si2 - Comments: Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates. Organic letters 6(5) (2004) 783-786 Space group: P n a 21 Cell volume: 2630.2 Cell parameters: 21.838; 9.844; 12.235; 90; 90; 90; |
| COD ID: 1507047 | |
| CIF file | Formula: - C26 H28 O5 - Comments: Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R. A new family of macrocycles produced by sequential Claisen-Schmidt condensations. Organic letters 6(19) (2004) 3257-3259 Space group: P n a 21 Cell volume: 2173.79 Cell parameters: 11.4843; 23.5263; 8.0456; 90; 90; 90; |
| COD ID: 1507146 | |
| CIF file | Formula: - C20 H18 O2 - Comments: Yuan, Feng-Quan; Han, Fu-She Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade. Organic letters 14(5) (2012) 1218-1221 Space group: P n a 21 Cell volume: 1602.9 Cell parameters: 9.947; 20.244; 7.9602; 90; 90; 90; |
| COD ID: 1507187 | |
| CIF file | Formula: - C16 H10 S - Comments: Koch, Michael; Blacque, Olivier; Venkatesan, Koushik Syntheses and tunable emission properties of 2-alkynyl azulenes. Organic letters 14(6) (2012) 1580-1583 Space group: P n a 21 Cell volume: 2369.83 Cell parameters: 12.2001; 25.9168; 7.495; 90; 90; 90; |
| COD ID: 1507285 | |
| CIF file | Formula: - C21 H20 N2 O2 S - Comments: Benati, Luisa; Calestani, Gianluca; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Strazzari, Samantha Generation and intramolecular reactivity of acyl radicals from alkynylthiol esters under reducing tin-free conditions. Organic letters 5(8) (2003) 1313-1316 Space group: P n a 21 Cell volume: 1842.9 Cell parameters: 15.107; 6.18; 19.739; 90; 90; 90; |
| COD ID: 1507315 | |
| CIF file | Formula: - C6 H11 N S7 - Comments: Konstantinova, Lidia S.; Rakitin, Oleg A.; Rees, Charles W.; Souvorova, Ljudmila I.; Golovanov, Denis G.; Lyssenko, Konstantin A. Unprecedented conversion of triethylamine and disulfur dichloride into a thienopentathiepin and a heptathiocane. Organic letters 5(11) (2003) 1939-1942 Space group: P n a 21 Cell volume: 1375.1 Cell parameters: 12.099; 7.654; 14.849; 90; 90; 90; |
| COD ID: 1507354 | |
| CIF file | Formula: - C15 H21 N O2 - Comments: Chao, Wenchun; Waldman, Jacob H.; Weinreb, Steven M. Studies of intramolecular cyclizations of N-acyliminium ions derived from acyclic ketones: unanticipated stereochemical and structural results. Organic letters 5(16) (2003) 2915-2918 Space group: P n a 21 Cell volume: 1323.3 Cell parameters: 12.556; 9.61; 10.967; 90; 90; 90; |
| COD ID: 1507376 | |
| CIF file | Formula: - C28 H25 N3 O4 - Comments: Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P. A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines. Organic letters 5(21) (2003) 3923-3926 Space group: P n a 21 Cell volume: 2423.2 Cell parameters: 26.465; 9.181; 9.973; 90; 90; 90; |
| COD ID: 1507411 | |
| CIF file | Formula: - C72 H104 N6 O10 S2 - Comments: Tumcharern, Gamolwan; Tuntulani, Thawatchai; Coles, Simon J.; Hursthouse, Michael B.; Kilburn, Jeremy D. A novel ditopic receptor and reversal of anion binding selectivity in the presence and absence of bound cation. Organic letters 5(26) (2003) 4971-4974 Space group: P n a 21 Cell volume: 7313.4 Cell parameters: 23.8484; 20.3212; 15.0907; 90; 90; 90; |
| COD ID: 1507928 | |
| CIF file | Formula: - C44 H35 Cl Fe Ir N O4 P2 - Comments: Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry 3(4) (2011) 287-290 Space group: P n a 21 Cell volume: 7305.8 Cell parameters: 17.8247; 11.4245; 35.8766; 90; 90; 90; |
| COD ID: 1507973 | |
| CIF file | Formula: - C16 H25 B10 Cl2 P Pt S - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P n a 21 Cell volume: 2390.81 Cell parameters: 14.2619; 11.1469; 15.0388; 90; 90; 90; |
| COD ID: 1508225 | |
| CIF file | Formula: - C16 H21 B F4 Fe N2 O2 - Comments: Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D. Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4 Inorganica Chimica Acta 390 (2012) 83-94 Space group: P n a 21 Cell volume: 1839.65 Cell parameters: 17.084; 13.9877; 7.6984; 90; 90; 90; |
| COD ID: 1508260 | |
| CIF file | Formula: - C24 H16 N2 - Comments: Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission The Journal of Physical Chemistry C 116(28) (2012) 15146 Space group: P n a 21 Cell volume: 3517 Cell parameters: 19.5; 6.929; 26.031; 90; 90; 90; |
| COD ID: 1508372 | |
| CIF file | Formula: - C14 H9 F N2 O S - Comments: Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals 1(4) (2011) 254-259 Space group: P n a 21 Cell volume: 2471.2 Cell parameters: 22.43; 8.1478; 13.522; 90; 90; 90; |
| COD ID: 1508479 | |
| CIF file | Formula: - C15 H15 N O S - Comments: Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals 2(3) (2012) 1058-1066 Space group: P n a 21 Cell volume: 1343.08 Cell parameters: 9.208; 14.0485; 10.3826; 90; 90; 90; |
| COD ID: 1508600 | |
| CIF file | Formula: - C26 H16 N O3 - Comments: Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones. Organic letters 14(19) (2012) 4994-4997 Space group: P n a 21 Cell volume: 3973.6 Cell parameters: 11.4787; 12.459; 27.785; 90; 90; 90; |
| COD ID: 1508676 | |
| CIF file | Formula: - C19 H19 B F2 N4 O - Comments: Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes. Organic letters 14(20) (2012) 5226-5229 Space group: P n a 21 Cell volume: 1735.6 Cell parameters: 13.339; 18.975; 6.8571; 90; 90; 90; |
| COD ID: 1508880 | |
| CIF file | Formula: - C69 H78 F12 Fe2 N2 O15 P2 - Comments: Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry. Organic letters 15(3) (2013) 534-537 Space group: P n a 21 Cell volume: 6938.9 Cell parameters: 21.8315; 10.7382; 29.5987; 90; 90; 90; |
| COD ID: 1509215 | |
| CIF file | Formula: - Ag Al O2 - Comments: Li, J.; Sleight, A.W. Structure of beta - Ag Al O2 and structural systematics of tetrahedral M M' X2 compounds Journal of Solid State Chemistry 177 (2004) 889-894 Space group: P n a 21 Cell volume: 203.752 Cell parameters: 5.4306; 6.9802; 5.3751; 90; 90; 90; |
| COD ID: 1509336 | |
| CIF file | Formula: - Ag Fe O6 Se2 - Comments: Giester, G. Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag Fe (Se O3)2 and Rb Fe (Se O4) (Se O3) Journal of Alloys Compd. 308 (2000) 71-76 Space group: P n a 21 Cell volume: 558.156 Cell parameters: 13.975; 5.249; 7.609; 90; 90; 90; |
| COD ID: 1509403 | |
| CIF file | Formula: - Ag In S2 - Comments: Delgado, G.; Pineda, C.; Mora, A.J.; Tinoco, T. Simultaneous Rietveld refinement of three phases in the Ag-In-S semiconducting system from x-ray powder diffraction Materials Research Bulletin 36 (2001) 2507-2517 Space group: P n a 21 Cell volume: 387.509 Cell parameters: 6.9972; 8.2733; 6.6939; 90; 90; 90; |
| COD ID: 1509501 | |
| CIF file | Formula: - Ag O5 Sb Si - Comments: Belokoneva, E.L.; Mill', B.V. Crystal structures of beta-NaSbOGeO4 and AgSbOSiO4 and migration paths of ions in structures of KTiOPO4 type Zhurnal Neorganicheskoi Khimii 39 (1994) 355-362 Space group: P n a 21 Cell volume: 871.455 Cell parameters: 12.832; 6.331; 10.727; 90; 90; 90; |
| COD ID: 1509876 | |
| CIF file | Formula: - Ag4 I2 O4 Se - Comments: Pitzschke, D.; Cakmak, G.; Curda, J.; Jansen, M. Ag4 I2 Se O4 and Ag3 I Te O4 - two new silver solid electrolytes Zeitschrift fuer Anorganische und Allgemeine Chemie 634 (2008) 1071-1076 Space group: P n a 21 Cell volume: 871.791 Cell parameters: 9.35141; 13.1552; 7.0866; 90; 90; 90; |
| COD ID: 1509986 | |
| CIF file | Formula: - Ag8 S6 Sn - Comments: Wang, N. New data for Ag8 Sn S6 (canfieldite) and Ag8 Ge S6 (argyrodite) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1978 (1978) 269-272 Space group: P n a 21 Cell volume: 1235.41 Cell parameters: 15.298; 7.548; 10.699; 90; 90; 90; |
| COD ID: 1509988 | |
| CIF file | Formula: - Ag8 S6 Ti - Comments: Sato, A.; Ishii, M.; Adams, S.; Tansho, M.; Wada, H.; Onoda, M. Phase transition and crystal structure of silver-ion conductor Ag12-n M(+n) S6 (M = Ti, Nb, Na) Solid State Ionics 154 (2002) 723-727 Space group: P n a 21 Cell volume: 1198.59 Cell parameters: 15.095; 7.462; 10.641; 90; 90; 90; |
| COD ID: 1511337 | |
| CIF file | Formula: - B1.14 F0.58 Mg2 O3.42 - Comments: Nikishova, L.V.; Brovkin, A.A. The crystal structure of alpha-Mg2 B O3 F and the isomorphic substitution (3F)3 - (B O3)(3-) Kristallografiya 20 (1975) 740-745 Space group: P n a 21 Cell volume: 1092.6 Cell parameters: 20.44; 4.53; 11.8; 90; 90; 90; |
| COD ID: 1511766 | |
| CIF file | Formula: - C11 H24 Cl2 N2 O12 Ru - Comments: Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound Metal Based Drugs 2 (1995) 211-219 Space group: P n a 21 Cell volume: 2026.1 Cell parameters: 18.571; 7.464; 14.617; 90; 90; 90; |
| COD ID: 1511826 | |
| CIF file | Formula: - C26 H25 N9 O2 - Comments: Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity The Journal of Physical Chemistry A 117(17) (2013) 3614 Space group: P n a 21 Cell volume: 2431.61 Cell parameters: 12.4315; 25.1447; 7.779; 90; 90; 90; |
| COD ID: 1511876 | |
| CIF file | Formula: - C38 H32 - Comments: Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M. Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics. Organic letters 15(6) (2013) 1362-1365 Space group: P n a 21 Cell volume: 5561.9 Cell parameters: 29.183; 9.2281; 20.653; 90; 90; 90; |
| COD ID: 1511884 | |
| CIF file | Formula: - C17 H14 Cl N O - Comments: Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B. Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles. Organic letters 15(6) (2013) 1350-1353 Space group: P n a 21 Cell volume: 1353.4 Cell parameters: 12.5875; 17.8684; 6.0173; 90; 90; 90; |
| COD ID: 1511940 | |
| CIF file | Formula: - C20 H21 Cl N2 O2 - Comments: Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas Organic Letters 15(9) (2013) 2088 Space group: P n a 21 Cell volume: 1789.7 Cell parameters: 12.492; 12.566; 11.401; 90; 90; 90; |
| COD ID: 1511952 | |
| CIF file | Formula: - C42 H39 O7.5 P2 S4.5 - Comments: Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters 15(9) (2013) 2179 Space group: P n a 21 Cell volume: 4072.9 Cell parameters: 17.7602; 10.5542; 21.7285; 90; 90; 90; |
| COD ID: 1511979 | |
| CIF file | Formula: - C19 H18 N2 O - Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416 Space group: P n a 21 Cell volume: 1601.7 Cell parameters: 15.399; 10.82; 9.613; 90; 90; 90; |
| COD ID: 1511980 | |
| CIF file | Formula: - C19 H18 N2 O - Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416 Space group: P n a 21 Cell volume: 1593.2 Cell parameters: 15.393; 10.798; 9.5855; 90; 90; 90; |
| COD ID: 1511981 | |
| CIF file | Formula: - C19 H18 N2 O - Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416 Space group: P n a 21 Cell volume: 1583.1 Cell parameters: 15.3711; 10.7478; 9.5826; 90; 90; 90; |
| COD ID: 1511983 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 745.6 Cell parameters: 7.054; 12.84; 8.232; 90; 90; 90; |
| COD ID: 1511984 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 734.9 Cell parameters: 6.971; 12.783; 8.247; 90; 90; 90; |
| COD ID: 1511985 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 715.5 Cell parameters: 6.8805; 12.6682; 8.209; 90; 90; 90; |
| COD ID: 1511994 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 703.34 Cell parameters: 6.8012; 12.5689; 8.2278; 90; 90; 90; |
| COD ID: 1511995 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 704.13 Cell parameters: 6.8045; 12.5768; 8.2278; 90; 90; 90; |
| COD ID: 1511996 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 705.88 Cell parameters: 6.8163; 12.5868; 8.2275; 90; 90; 90; |
| COD ID: 1511997 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 707.3 Cell parameters: 6.8245; 12.5972; 8.2273; 90; 90; 90; |
| COD ID: 1511998 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 708.76 Cell parameters: 6.8306; 12.6103; 8.2284; 90; 90; 90; |
| COD ID: 1511999 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 710.87 Cell parameters: 6.8442; 12.6228; 8.2283; 90; 90; 90; |
| COD ID: 1512000 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 712.51 Cell parameters: 6.8508; 12.6373; 8.2299; 90; 90; 90; |
| COD ID: 1512001 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 714.11 Cell parameters: 6.8614; 12.65; 8.2274; 90; 90; 90; |
| COD ID: 1512002 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 717.09 Cell parameters: 6.8794; 12.6652; 8.2302; 90; 90; 90; |
| COD ID: 1512003 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 719.4 Cell parameters: 6.8902; 12.6822; 8.2327; 90; 90; 90; |
| COD ID: 1512004 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 721.51 Cell parameters: 6.903; 12.6968; 8.2321; 90; 90; 90; |
| COD ID: 1512005 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 723.44 Cell parameters: 6.9155; 12.7076; 8.2322; 90; 90; 90; |
| COD ID: 1512006 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 725.3 Cell parameters: 6.9234; 12.7234; 8.2337; 90; 90; 90; |
| COD ID: 1512007 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 727.49 Cell parameters: 6.9397; 12.7371; 8.2303; 90; 90; 90; |
| COD ID: 1512008 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 730.23 Cell parameters: 6.9533; 12.7634; 8.2281; 90; 90; 90; |
| COD ID: 1512009 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 732.63 Cell parameters: 6.9692; 12.7818; 8.2245; 90; 90; 90; |
| COD ID: 1512010 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 734.43 Cell parameters: 6.9782; 12.798; 8.2237; 90; 90; 90; |
| COD ID: 1512011 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 737.02 Cell parameters: 6.9934; 12.8124; 8.2255; 90; 90; 90; |
| COD ID: 1512012 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 740.11 Cell parameters: 7.01; 12.831; 8.2285; 90; 90; 90; |
| COD ID: 1512013 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 741.31 Cell parameters: 7.0252; 12.8396; 8.2185; 90; 90; 90; |
| COD ID: 1512014 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 744.36 Cell parameters: 7.0396; 12.8637; 8.22; 90; 90; 90; |
| COD ID: 1512015 | |
| CIF file | Formula: - C3 H4 N2 - Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661 Space group: P n a 21 Cell volume: 752.6 Cell parameters: 7.0814; 12.8818; 8.2503; 90; 90; 90; |
| COD ID: 1512110 | |
| CIF file | Formula: - C30 H23 N3 O - Comments: Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters 15(11) (2013) 2842-2845 Space group: P n a 21 Cell volume: 2214.84 Cell parameters: 36.9495; 10.683; 5.611; 90; 90; 90; |
| COD ID: 1512208 | |
| CIF file | Formula: - C15 H12 O3 - Comments: Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K. Directing group assisted copper-catalyzed chemoselective o-aroylation of phenols and enols using alkylbenzenes. Organic letters 15(16) (2013) 4106-4109 Space group: P n a 21 Cell volume: 1206.87 Cell parameters: 22.827; 4.0137; 13.1725; 90; 90; 90; |
| COD ID: 1512231 | |
| CIF file | Formula: - C20 H19 N O2 - Comments: Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans. Organic letters 15(15) (2013) 3978-3981 Space group: P n a 21 Cell volume: 1651 Cell parameters: 9.513; 18.292; 9.488; 90; 90; 90; |
| COD ID: 1512397 | |
| CIF file | Formula: - C23 H22 N2 O3 Pd S - Comments: Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability Inorganica Chimica Acta 390 (2012) 105-118 Space group: P n a 21 Cell volume: 2192.66 Cell parameters: 16.2065; 9.4982; 14.2443; 90; 90; 90; |
| COD ID: 1512428 | |
| CIF file | Formula: - C48 H32 N8 O10 Zn2 - Comments: Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta 392 (2012) 16-24 Space group: P n a 21 Cell volume: 4375.8 Cell parameters: 19.0056; 9.6048; 23.971; 90; 90; 90; |
| COD ID: 1512455 | |
| CIF file | Formula: - C48 H34 N4 O14 Zn2 - Comments: Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands Inorganica Chimica Acta 392 (2012) 77-83 Space group: P n a 21 Cell volume: 4348 Cell parameters: 14.207; 23.962; 12.772; 90; 90; 90; |
| COD ID: 1512917 | |
| CIF file | Formula: - C16 H11 F9 N2 O6 Sr - Comments: Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives Polyhedron 26(17) (2007) 5095-5103 Space group: P n a 21 Cell volume: 2217 Cell parameters: 18.967; 14.068; 8.31; 90; 90; 90; |
| COD ID: 1512927 | |
| CIF file | Formula: - C5 H15 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 n a 21 Cell volume: 1546.9 Cell parameters: 12.3556; 9.9655; 12.5633; 90; 90; 90; |
| COD ID: 1513017 | |
| CIF file | Formula: - C31 H37 Cu N7 O10 - Comments: Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta 397 (2013) 32-37 Space group: P n a 21 Cell volume: 3310 Cell parameters: 13.2675; 10.2369; 24.371; 90; 90; 90; |
| COD ID: 1513018 | |
| CIF file | Formula: - C31 H37 N7 Ni O10 - Comments: Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta 397 (2013) 32-37 Space group: P n a 21 Cell volume: 3319.7 Cell parameters: 13.169; 10.2444; 24.607; 90; 90; 90; |
| COD ID: 1513019 | |
| CIF file | Formula: - C31 H37 Co N7 O10 - Comments: Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta 397 (2013) 32-37 Space group: P n a 21 Cell volume: 3348 Cell parameters: 13.1567; 10.2929; 24.723; 90; 90; 90; |
| COD ID: 1513130 | |
| CIF file | Formula: - C15 H14 O2 - Comments: Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters 15(23) (2013) 5970 Space group: P n a 21 Cell volume: 2382.3 Cell parameters: 16.7078; 7.0015; 20.3649; 90; 90; 90; |
| COD ID: 1513132 | |
| CIF file | Formula: - C19 H18 - Comments: Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters 15(23) (2013) 5970 Space group: P n a 21 Cell volume: 1368.75 Cell parameters: 15.9505; 14.6663; 5.851; 90; 90; 90; |
| COD ID: 1513401 | |
| CIF file | Formula: - C81 H108 F15 N15 O9 - Comments: Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor. Organic letters 16(2) (2014) 366-369 Space group: P n a 21 Cell volume: 8430.7 Cell parameters: 41.2339; 13.6303; 15.0005; 90; 90; 90; |
| COD ID: 1513402 | |
| CIF file | Formula: - C81 H108 F15 N15 O9 - Comments: Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor. Organic letters 16(2) (2014) 366-369 Space group: P n a 21 Cell volume: 8415.8 Cell parameters: 41.238; 13.6194; 14.9845; 90; 90; 90; |
| COD ID: 1513450 | |
| CIF file | Formula: - C22 H33 Cu N P - Comments: Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates. Organic letters 16(4) (2014) 1264-1267 Space group: P n a 21 Cell volume: 2170.1 Cell parameters: 18.6292; 9.3181; 12.5012; 90; 90; 90; |
| COD ID: 1513619 | |
| CIF file | Formula: - C62 H106 Mg2 N6 Na4 - Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771 Space group: P n a 21 Cell volume: 6422 Cell parameters: 16.9437; 16.1245; 23.5059; 90; 90; 90; |
| COD ID: 1513640 | |
| CIF file | Formula: - C60 H62 N2 O6 - Comments: Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science 5(2) (2014) 608 Space group: P n a 21 Cell volume: 4920.6 Cell parameters: 22.956; 9.4115; 22.7754; 90; 90; 90; |
| COD ID: 1513678 | |
| CIF file | Formula: - C14 H25 Cl2 F3 N O4 P S - Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064 Space group: P n a 21 Cell volume: 2081.5 Cell parameters: 17.333; 8.3372; 14.4037; 90; 90; 90; |
| COD ID: 1513757 | |
| CIF file | Formula: - C23 H18 N2 - Comments: Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 13(2) (2014) 211-223 Space group: P n a 21 Cell volume: 1720.35 Cell parameters: 15.5952; 13.4176; 8.2215; 90; 90; 90; |
| COD ID: 1513774 | |
| CIF file | Formula: - C16 H27 N O2 - Comments: McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey Probing chemical space with alkaloid-inspired libraries. Nature chemistry 6(2) (2014) 133-140 Space group: P n a 21 Cell volume: 2953.1 Cell parameters: 20.4107; 8.6349; 16.7557; 90; 90; 90; |
| COD ID: 1513805 | |
| CIF file | Formula: - C64 H90 N4 O34 S4 - Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441 Space group: P n a 21 Cell volume: 7448 Cell parameters: 31.15; 16.287; 14.681; 90; 90; 90; |
| COD ID: 1513910 | |
| CIF file | Formula: - C19 H26 Cl N O5 - Comments: Ghavimi, Bahman; Magnus, Philip Total synthesis of 8,14-dihydromorphinandienone alkaloids. Organic letters 16(6) (2014) 1708-1711 Space group: P n a 21 Cell volume: 1920.8 Cell parameters: 15.833; 10.199; 11.895; 90; 90; 90; |
| COD ID: 1514333 | |
| CIF file | Formula: - C24 H25 N3 O2 - Comments: Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C 118(16) (2014) 8531 Space group: P n a 21 Cell volume: 2108.9 Cell parameters: 48.93; 5.783; 7.453; 90; 90; 90; |
| COD ID: 1514374 | |
| CIF file | Formula: - C13 H12 N2 O4 Pd - Comments: Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology 4(8) (2014) 2526 Space group: P n a 21 Cell volume: 1260.88 Cell parameters: 10.919; 23.8725; 4.8372; 90; 90; 90; |
| COD ID: 1514695 | |
| CIF file | Formula: - C20 H27 N O4 - Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218 Space group: P n a 21 Cell volume: 3828.6 Cell parameters: 16.349; 11.424; 20.499; 90; 90; 90; |
| COD ID: 1514713 | |
| CIF file | Formula: - C16 H11 N O S - Comments: Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science 4(5) (2013) 2163 Space group: P n a 21 Cell volume: 1302.72 Cell parameters: 23.0013; 5.0777; 11.154; 90; 90; 90; |
| COD ID: 1514894 | |
| CIF file | Formula: - C76 H68 N2 O2 - Comments: Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M. Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts Polymer Chemistry 4(8) (2013) 2414 Space group: P n a 21 Cell volume: 5603 Cell parameters: 18.951; 14.595; 20.257; 90; 90; 90; |
| COD ID: 1515129 | |
| CIF file | Formula: - C57.5 H82.5 Li2 N5.5 O0.5 Ti - Comments: Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science 3(3) (2012) 819 Space group: P n a 21 Cell volume: 5553.22 Cell parameters: 18.4575; 16.9731; 17.726; 90; 90; 90; |
| COD ID: 1515182 | |
| CIF file | Formula: - C18 H16 O2 - Comments: Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science 3(6) (2012) 1975 Space group: P n a 21 Cell volume: 2733 Cell parameters: 19.372; 5.761; 24.488; 90; 90; 90; |
| COD ID: 1515328 | |
| CIF file | Formula: - C34 H42 Cl2 N2 - Comments: Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 11(6) (2012) 908-913 Space group: P n a 21 Cell volume: 2838.4 Cell parameters: 11.276; 12.1; 20.803; 90; 90; 90; |
| COD ID: 1515495 | |
| CIF file | Formula: - C38 H56 Lu2 N2 - Comments: Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J. (C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn Chemical Science 2(10) (2011) 1992 Space group: P n a 21 Cell volume: 3475 Cell parameters: 21.9504; 8.4448; 18.7468; 90; 90; 90; |
| COD ID: 1515576 | |
| CIF file | Formula: - C21 H22 O2 - Comments: Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P. Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates. Chemical science (Royal Society of Chemistry : 2010) 2(11) (2011) 2115-2119 Space group: P n a 21 Cell volume: 1606.75 Cell parameters: 18.0449; 16.5511; 5.3798; 90; 90; 90; |
| COD ID: 1516060 | |
| CIF file | Formula: - C16 H20 N2 O3 - Comments: Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters 14(18) (2012) 4846-4849 Space group: P n a 21 Cell volume: 2900.1 Cell parameters: 40.076; 5.5575; 13.021; 90; 90; 90; |
| COD ID: 1516068 | |
| CIF file | Formula: - C19 H26 N2 O - Comments: Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A. Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine. Organic letters 14(22) (2012) 5621-5623 Space group: P n a 21 Cell volume: 1570.24 Cell parameters: 13.7232; 14.9269; 7.6655; 90; 90; 90; |
| COD ID: 1516116 | |
| CIF file | Formula: - C24 H32 N2 O4 - Comments: Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products 77(6) (2014) 1532-1535 Space group: P n a 21 Cell volume: 2087.04 Cell parameters: 8.6828; 21.4082; 11.2277; 90; 90; 90; |
| COD ID: 1516244 | |
| CIF file | Formula: - C29 H28 O Si - Comments: Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 4(6) (2005) 469-480 Space group: P n a 21 Cell volume: 2345.6 Cell parameters: 17.088; 10.053; 13.654; 90; 90; 90; |
| COD ID: 1516415 | |
| CIF file | Formula: - C7 H14 F6 N2 O5 S2 - Comments: Nockemann, Peter; Binnemans, Koen; Thijs, Ben; Parac-Vogt, Tatjana N; Merz, Klaus; Mudring, Anja-Verena; Menon, Preethy Chirukandath; Rajesh, Ravindran Nair; Cordoyiannis, George; Thoen, Jan; Leys, Jan; Glorieux, Christ Temperature-driven mixing-demixing behavior of binary mixtures of the ionic liquid choline bis(trifluoromethylsulfonyl)imide and water. The journal of physical chemistry. B 113(5) (2009) 1429-1437 Space group: P n a 21 Cell volume: 1576 Cell parameters: 9.657; 11.141; 14.651; 90; 90; 90; |
| COD ID: 1516476 | |
| CIF file | Formula: - C32 H62 Lu2 N2 O2 Si2 - Comments: Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene Macromolecules 47(11) (2014) 3567 Space group: P n a 21 Cell volume: 3565.6 Cell parameters: 19.256; 10.164; 18.218; 90; 90; 90; |
| COD ID: 1516557 | |
| CIF file | Formula: - C18 H24 B Mn N2 O2 - Comments: Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science 5(6) (2014) 2271 Space group: P n a 21 Cell volume: 3661.6 Cell parameters: 21.1662; 7.9276; 21.8218; 90; 90; 90; |
| COD ID: 1516709 | |
| CIF file | Formula: - C30 H22 O2 - Comments: Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation. Organic letters 16(13) (2014) 3592-3595 Space group: P n a 21 Cell volume: 2187.1 Cell parameters: 7.5251; 13.3225; 21.8161; 90; 90; 90; |
| COD ID: 1516711 | |
| CIF file | Formula: - C24 H22 O - Comments: Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T. Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes. Organic letters 16(13) (2014) 3576-3579 Space group: P n a 21 Cell volume: 1777.7 Cell parameters: 7.9519; 12.792; 17.476; 90; 90; 90; |
| COD ID: 1516839 | |
| CIF file | Formula: - C14 H19 N4 O - Comments: Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B. 6-Oxoverdazyl radical polymers with tunable electrochemical properties Polymer Chemistry (2014) Space group: P n a 21 Cell volume: 1436.3 Cell parameters: 16.219; 15.484; 5.7192; 90; 90; 90; |
| COD ID: 1516883 | |
| CIF file | Formula: - C14 H13 I O2 - Comments: Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry 57(14) (2014) 6030-6042 Space group: P n a 21 Cell volume: 1249.9 Cell parameters: 6.1079; 7.2239; 28.327; 90; 90; 90; |
| COD ID: 1516984 | |
| CIF file | Formula: - C13 H21 Mo N O3 S3 - Comments: Takahiko Ogawa; Koji Koike; Jun Matsumoto; Yuji Kajita; Hideki Masuda Synthesis and characterization of tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands Inorganica Chimica Acta 401 (2013) 101-106 Space group: P n a 21 Cell volume: 3388.7 Cell parameters: 29.541; 8.9741; 12.7826; 90; 90; 90; |
| COD ID: 1517169 | |
| CIF file | Formula: - C7 H9 Cl3 Fe Ga O4 P - Comments: Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science 5(10) (2014) 4099 Space group: P n a 21 Cell volume: 1427.24 Cell parameters: 12.3102; 8.7578; 13.2384; 90; 90; 90; |
| COD ID: 1517174 | |
| CIF file | Formula: - C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 - Comments: Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science 5(10) (2014) 4099 Space group: P n a 21 Cell volume: 3092.4 Cell parameters: 28.6201; 15.3682; 7.0307; 90; 90; 90; |
| COD ID: 1517358 | |
| CIF file | Formula: - C35 H52 Au F6 N P2 - Comments: Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W. Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement Chem. Sci. 5(12) (2014) 4975 Space group: P n a 21 Cell volume: 3607 Cell parameters: 22.231; 12.5844; 12.8929; 90; 90; 90; |
| COD ID: 1517359 | |
| CIF file | Formula: - C20 H35 Cl P2 Pd - Comments: Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex Polym. Chem. 5(22) (2014) 6435 Space group: P n a 21 Cell volume: 2327.55 Cell parameters: 23.6604; 9.3856; 10.4813; 90; 90; 90; |
| COD ID: 1517489 | |
| CIF file | Formula: - C11 H11 N O2 - Comments: Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A. Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent. Organic letters 16(18) (2014) 4718-4721 Space group: P n a 21 Cell volume: 906.17 Cell parameters: 7.2675; 12.9319; 9.6419; 90; 90; 90; |
| COD ID: 1517564 | |
| CIF file | Formula: - C24 H19 F3 N2 O - Comments: Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones. Organic letters 16(18) (2014) 4770-4773 Space group: P n a 21 Cell volume: 2038.24 Cell parameters: 8.7161; 44.918; 5.2061; 90; 90; 90; |
| COD ID: 1517571 | |
| CIF file | Formula: - C68 H76 Cd2 N8 O8 - Comments: Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates Inorganica Chimica Acta 403 (2013) 25-34 Space group: P n a 21 Cell volume: 6580 Cell parameters: 19.072; 17.965; 19.204; 90; 90; 90; |
| COD ID: 1517609 | |
| CIF file | Formula: - C13 H10 Cu N2 O8 - Comments: Niamh R. Kelly; Sandrine Goetz; Chris S. Hawes; Paul E. Kruger Acid directed in situ oxidation and decarboxylation of 4,4',6,6'- tetra-methyl-2,2'-bipyridine: Synthesis and structural characterisation of 4,4',6-tri-carboxy-2,2'-bipyridine and its copper(II) coordination polymer Inorganica Chimica Acta 403 (2013) 102-109 Space group: P n a 21 Cell volume: 1347.19 Cell parameters: 17.3392; 11.4434; 6.7896; 90; 90; 90; |
| COD ID: 1517721 | |
| CIF file | Formula: - Nb O5 P - Comments: Kaiser, U.; Schmidt, G.; Glaum, R.; Gruehn, R. Beitraege zum thermischen Verhalten wasserfreier Phosphate. VII: Darstellung, Struktur und thermisches Verhalten von orthorhombischem NbPO5-d Zeitschrift fuer Anorganische und Allgemeine Chemie 607 (1992) 113-120 Space group: P n a 21 Cell volume: 395.642 Cell parameters: 11.2875; 6.6296; 5.2871; 90; 90; 90; |
| COD ID: 1518070 | |
| CIF file | Formula: - Ge2 Na2 Se5 - Comments: Eisenmann, Brigitte; Hansa, Jendy; Schafer, Herbert Na2Ge2Se5, das erste schichtselenidogermanat Revue de Chimie Minerale 21 (1984) 817-823 Space group: P n a 21 Cell volume: 955.4 Cell parameters: 14.095; 6.167; 10.991; 90; 90; 90; |
| COD ID: 1518224 | |
| CIF file | Formula: - C6 H8 B F4 Li O6 - Comments: Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C 118(45) (2014) 25884 Space group: P n a 21 Cell volume: 2125.5 Cell parameters: 31.63; 5.1779; 12.978; 90; 90; 90; |
| COD ID: 1518246 | |
| CIF file | Formula: - C51 H52 Cl4 F6 N4 O3 P Rh - Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094 Space group: P n a 21 Cell volume: 5347.4 Cell parameters: 17.7761; 22.9437; 13.1111; 90; 90; 90; |
| COD ID: 1518261 | |
| CIF file | Formula: - C18 H16 Br N O2 - Comments: Dhanasekaran, Sivasankaran; Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Singh, Vinod K. A General Catalytic Route to Isoindolinones and Tetrahydroisoquinolines: Application in the Synthesis of (±)-Crispine A. Organic letters 16(23) (2014) 6068 Space group: P n a 21 Cell volume: 1525.72 Cell parameters: 7.4367; 10.056; 20.4018; 90; 90; 90; |
| COD ID: 1518324 | |
| CIF file | Formula: - C32 H32 Mn N6 O4 - Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45 Space group: P n a 21 Cell volume: 2958 Cell parameters: 20.213; 11.155; 13.117; 90; 90; 90; |
| COD ID: 1518422 | |
| CIF file | Formula: - C23 H28 N2 O4 S - Comments: Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay. Organic letters 17(1) (2015) 66-69 Space group: P n a 21 Cell volume: 4388.3 Cell parameters: 26.688; 18.145; 9.062; 90; 90; 90; |
| COD ID: 1518478 | |
| CIF file | Formula: - C22 H35 F6 O6 Pd Sb - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P n a 21 Cell volume: 2699.3 Cell parameters: 16.758; 16.947; 9.5046; 90; 90; 90; |
| COD ID: 1518488 | |
| CIF file | Formula: - C16 H16 O5 - Comments: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. Organic letters 17(2) (2015) 218-221 Space group: P n a 21 Cell volume: 1395.8 Cell parameters: 14.969; 7.307; 12.761; 90; 90; 90; |
| COD ID: 1518501 | |
| CIF file | Formula: - C23 H32 N2 Se - Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895 Space group: P n a 21 Cell volume: 1920.6 Cell parameters: 23.3; 7.0807; 11.6415; 90; 90; 90; |
| COD ID: 1518576 | |
| CIF file | Formula: - C25 H21 N5 O4 - Comments: Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G. Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety. Organic letters 17(3) (2015) 438-441 Space group: P n a 21 Cell volume: 2226.29 Cell parameters: 15.0058; 16.0652; 9.235; 90; 90; 90; |
| COD ID: 1518681 | |
| CIF file | Formula: - C46 H39 B F15 Ni O3 P S - Comments: Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts Polym. Chem. 6(14) (2015) 2669 Space group: P n a 21 Cell volume: 4446.47 Cell parameters: 24.5629; 15.6599; 11.5597; 90; 90; 90; |
| COD ID: 1518685 | |
| CIF file | Formula: - C52 H48 N4 O4 - Comments: Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior. Organic letters 17(4) (2015) 786-789 Space group: P n a 21 Cell volume: 3929 Cell parameters: 18.809; 10.08; 20.725; 90; 90; 90; |
| COD ID: 1518786 | |
| CIF file | Formula: - C23 H17 N - Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843 Space group: P n a 21 Cell volume: 1654.32 Cell parameters: 7.4701; 19.7919; 11.1894; 90; 90; 90; |
| COD ID: 1518787 | |
| CIF file | Formula: - C58 H46 F6 Ir N4 O P - Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843 Space group: P n a 21 Cell volume: 5118.7 Cell parameters: 13.128; 37.8916; 10.29; 90; 90; 90; |
| COD ID: 1518997 | |
| CIF file | Formula: - C11 H14 O3 - Comments: Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei Bioinspired Organocatalytic Aerobic C-H Oxidation of Amines with an ortho-Quinone Catalyst. Organic letters 17(6) (2015) 1469-1472 Space group: P n a 21 Cell volume: 2085.9 Cell parameters: 14.5121; 5.9558; 24.1332; 90; 90; 90; |
| COD ID: 1519008 | |
| CIF file | Formula: - C17 H16 Cu N2 O2 - Comments: Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H. Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols Solid State Sciences 1 (1999) 119-131 Space group: P n a 21 Cell volume: 1480.6 Cell parameters: 12.021; 17.918; 6.874; 90; 90; 90; |
| COD ID: 1519085 | |
| CIF file | Formula: - C7 H5 N O3 - Comments: Damsgaard, Anders; Hazell, Rita; Bols, Mikael Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates Acta Chemica Scandinavica 53 (1999) 521-527 Space group: P n a 21 Cell volume: 629.73 Cell parameters: 10.3942; 9.5586; 6.3382; 90; 90; 90; |
| COD ID: 1519255 | |
| CIF file | Formula: - Cl H5 O6 - Comments: Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B. ClH5O6 Crystal Structure Report Archive (2000) 825 Space group: P n a 21 Cell volume: 496.07 Cell parameters: 7.9054; 10.5443; 5.9511; 90; 90; 90; |
| COD ID: 1519293 | |
| CIF file | Formula: - C15 H19 F O4 - Comments: Hursthouse, Michael B.; Light, Mark E. (2S)-1-(4-Fluorophenyl)-2-hydroxy-2-((2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl)ethanone Crystal Structure Report Archive (2001) 121 Space group: P n a 21 Cell volume: 2902.2 Cell parameters: 10.973; 12.764; 20.721; 90; 90; 90; |
| COD ID: 1519301 | |
| CIF file | Formula: - C8 H12 Cl Cu N4 O4 - Comments: Fallis, Ian A.; Coles, Simon J.; Hursthouse, Michael B. C8H12ClCuN4O4 Crystal Structure Report Archive (2001) 1044 Space group: P n a 21 Cell volume: 4055.9 Cell parameters: 23.868; 8.339; 20.378; 90; 90; 90; |
| COD ID: 1519421 | |
| CIF file | Formula: - C8 H8 F N O3 S - Comments: Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci. 6(6) (2015) 3565 Space group: P n a 21 Cell volume: 930.14 Cell parameters: 20.3421; 4.6595; 9.8133; 90; 90; 90; |
| COD ID: 1519467 | |
| CIF file | Formula: - C14 H22 O6 - Comments: Coles, Simon J.; Hursthouse, Michael B. (5,2'-Dimethyl-5'-oxo-octahydro-[2, 2']bifuranyl-5-yl)-hydroxy-acetic acid ethyl ester Crystal Structure Report Archive (2002) 27 Space group: P n a 21 Cell volume: 1415.69 Cell parameters: 9.3133; 15.4441; 9.8424; 90; 90; 90; |
| COD ID: 1519608 | |
| CIF file | Formula: - C44 H46 Cl4 N16 Ni2 O21 - Comments: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H46Cl4N16Ni2O21 Crystal Structure Report Archive (2004) 989 Space group: P n a 21 Cell volume: 5330 Cell parameters: 25.809; 11.899; 17.357; 90; 90; 90; |
| COD ID: 1519649 | |
| CIF file | Formula: - H2 K2 O12 S2 U - Comments: Plášil, J.; Hloušek, J.; Kasatkin, A. V.; Škoda, R.; Novák, M.; Čejka, J. Geschieberite, K~2~(UO~2~)(SO~4~)~2~(H~2~O)~2~, a new uranyl sulfate mineral from Jáchymov Mineralogical Magazine 79(1) (2015) 205-216 Space group: P n a 21 Cell volume: 1156.92 Cell parameters: 13.7778; 7.2709; 11.5488; 90; 90; 90; |
| COD ID: 1519692 | |
| CIF file | Formula: - C25 H23 N5 O3 - Comments: Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R. Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism Organic Process Research & Development 19(12) (2015) 1849 Space group: P n a 21 Cell volume: 2227.32 Cell parameters: 14.8632; 7.9124; 18.9392; 90; 90; 90; |
| COD ID: 1519738 | |
| CIF file | Formula: - C44 H46 Cl4 Co2 N16 O21 - Comments: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H46Cl4Co2N16O21 Crystal Structure Report Archive (2004) 992 Space group: P n a 21 Cell volume: 5378.8 Cell parameters: 25.808; 11.9889; 17.384; 90; 90; 90; |
| COD ID: 1519752 | |
| CIF file | Formula: - C21 H12 Br F6 Fe N - Comments: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J. C21H12BrF6FeN Crystal Structure Report Archive (2005) 1105 Space group: P n a 21 Cell volume: 3709.3 Cell parameters: 14.7387; 10.7713; 23.365; 90; 90; 90; |
| COD ID: 1519792 | |
| CIF file | Formula: - C9 H10 O3 - Comments: Huth, Susanne L.; Hursthouse, Michael B. 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol Crystal Structure Report Archive (2007) 375 Space group: P n a 21 Cell volume: 1590.2 Cell parameters: 7.8484; 8.3983; 24.1255; 90; 90; 90; |
| COD ID: 1519793 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Huth, Susanne L.; Hursthouse, Michael B. 1-Methyl-1H-indole-5-amine Crystal Structure Report Archive (2007) 376 Space group: P n a 21 Cell volume: 773.31 Cell parameters: 9.8821; 10.9251; 7.1627; 90; 90; 90; |
| COD ID: 1519823 | |
| CIF file | Formula: - C19 H28 Cl N O2 S - Comments: Fry, F. H.; Male, Louise; Hursthouse, Michael B. C19H28ClNO2S Crystal Structure Report Archive (2007) 332 Space group: P n a 21 Cell volume: 1877.7 Cell parameters: 15.4076; 12.9924; 9.38; 90; 90; 90; |
| COD ID: 1519839 | |
| CIF file | Formula: - C3 H6 Cl4 N3 O2 P3 - Comments: Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B. 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene Crystal Structure Report Archive (2007) 299 Space group: P n a 21 Cell volume: 1228.96 Cell parameters: 13.3686; 10.4704; 8.7799; 90; 90; 90; |
| COD ID: 1519840 | |
| CIF file | Formula: - C3 H6 Cl4 N3 O2 P3 - Comments: Kilic, A.; Odlyha, M.; Uslu, A.; Davies, David B.; Shaw, R.A.; Light, Mark E.; Coles, Simon J.; Huth, Susanne. L.; Hursthouse, Michael B.; Rutherford, J.S. 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene Crystal Structure Report Archive (2007) 300 Space group: P n a 21 Cell volume: 1269.6 Cell parameters: 13.4804; 10.6442; 8.8479; 90; 90; 90; |
| COD ID: 1519921 | |
| CIF file | Formula: - C15 H16 N2 O3 - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N,N'-bis(3-Methoxyphenyl)urea Crystal Structure Report Archive (2008) 684 Space group: P n a 21 Cell volume: 1328.83 Cell parameters: 10.0265; 4.5597; 29.0659; 90; 90; 90; |
| COD ID: 1519970 | |
| CIF file | Formula: - C8 H13 N O3 S - Comments: Callear, Samantha K.; Hursthouse, Michael B. Methylammonium toluene-4-sulphonate Crystal Structure Report Archive (2008) 568 Space group: P n a 21 Cell volume: 960.95 Cell parameters: 23.756; 7.1036; 5.6944; 90; 90; 90; |
| COD ID: 1519991 | |
| CIF file | Formula: - C9 H10 Cl4 N3 O2 P3 - Comments: Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C9H10Cl4N3O2P3 Crystal Structure Report Archive (2008) 486 Space group: P n a 21 Cell volume: 1617.57 Cell parameters: 23.2125; 9.1684; 7.6006; 90; 90; 90; |
| COD ID: 1519993 | |
| CIF file | Formula: - C15 H31 N O4 - Comments: Callear, Samantha K.; Hursthouse, Michael B. 1,1,3,3-Tetramethylbutylammonium pimelate Crystal Structure Report Archive (2008) 508 Space group: P n a 21 Cell volume: 1702.31 Cell parameters: 11.5504; 22.2264; 6.6309; 90; 90; 90; |
| COD ID: 1519995 | |
| CIF file | Formula: - C7 H10 N2 O4 - Comments: Callear, Samantha K.; Hursthouse, Michael B. 2-Methylimidazolium malonate Crystal Structure Report Archive (2008) 515 Space group: P n a 21 Cell volume: 850 Cell parameters: 11.4966; 18.702; 3.9535; 90; 90; 90; |
| COD ID: 1520178 | |
| CIF file | Formula: - C13 H12 N2 O - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N,N'-bis-Phenylurea Crystal Structure Report Archive (2008) 681 Space group: P n a 21 Cell volume: 1100.59 Cell parameters: 9.0662; 10.342; 11.738; 90; 90; 90; |
| COD ID: 1520183 | |
| CIF file | Formula: - C8 H9 N O2 - Comments: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-hydroxyphenyl)acetamide Crystal Structure Report Archive (2008) 1375 Space group: P n a 21 Cell volume: 728.8 Cell parameters: 10.5129; 17.0435; 4.0675; 90; 90; 90; |
| COD ID: 1520187 | |
| CIF file | Formula: - C8 H9 N O2 - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-methoxyphenyl)formamide Crystal Structure Report Archive (2008) 540 Space group: P n a 21 Cell volume: 751.65 Cell parameters: 10.5957; 7.6655; 9.2544; 90; 90; 90; |
| COD ID: 1520188 | |
| CIF file | Formula: - C8 H9 N O2 - Comments: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-hydroxyphenyl)acetamide Crystal Structure Report Archive (2008) 542 Space group: P n a 21 Cell volume: 728.8 Cell parameters: 10.5129; 17.0435; 4.0675; 90; 90; 90; |
| COD ID: 1520192 | |
| CIF file | Formula: - C10 H16 N2 O4 - Comments: Callear, Samantha K.; Hursthouse, Michael B. 1,2-Dimethylimidazolium glutarate Crystal Structure Report Archive (2008) 471 Space group: P n a 21 Cell volume: 1104.9 Cell parameters: 10.4056; 22.888; 4.6392; 90; 90; 90; |
| COD ID: 1520205 | |
| CIF file | Formula: - C22 H28 Cl N O2 S - Comments: Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B. C22H28ClNO2S Crystal Structure Report Archive (2008) 445 Space group: P n a 21 Cell volume: 2048.8 Cell parameters: 14.7643; 13.349; 10.3953; 90; 90; 90; |
| COD ID: 1520242 | |
| CIF file | Formula: - C8 H8 Cl N O - Comments: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-chlorophenyl)acetamide Crystal Structure Report Archive (2008) 1387 Space group: P n a 21 Cell volume: 789.94 Cell parameters: 9.6978; 12.3874; 6.5757; 90; 90; 90; |
| COD ID: 1520261 | |
| CIF file | Formula: - C20 H20 Cl F N4 O3 - Comments: Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors RSC Advances 5(64) (2015) 51717-51721 Space group: P n a 21 Cell volume: 2036.9 Cell parameters: 22.318; 10.108; 9.029; 90; 90; 90; |
| COD ID: 1520563 | |
| CIF file | Formula: - C48.75 H55.04 Cl2.25 F3 O12 S - Comments: Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives. Organic letters 17(13) (2015) 3260-3263 Space group: P n a 21 Cell volume: 4937 Cell parameters: 35.9931; 12.0648; 11.369; 90; 90; 90; |
| COD ID: 1520604 | |
| CIF file | Formula: - C12 H22 Mo O6 - Comments: Lehtonen, Ari; Sillanpaa, Reijo Dioxomolybdenum(VI) Complexes of Chelating Alkoxides Acta Chemica Scandinavica 53 (1999) 1078-1082 Space group: P n a 21 Cell volume: 1485.4 Cell parameters: 18.676; 6.9445; 11.4529; 90; 90; 90; |
| COD ID: 1520684 | |
| CIF file | Formula: - C13 H17 Cl O3 - Comments: Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S. Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols. Organic letters 17(14) (2015) 3482-3485 Space group: P n a 21 Cell volume: 1282.79 Cell parameters: 28.508; 5.4891; 8.1976; 90; 90; 90; |
| COD ID: 1520911 | |
| CIF file | Formula: - Mg N2 Si - Comments: Bruls, R.J.; Loong, C.-K.; Metselaar, R.; Hintzen, H.T. Anisotropic thermal expansion of Mg Si N2 from 10 to 300 K as measured by neutron diffraction Journal of Physics and Chemistry of Solids 61 (2000) 1285-1293 Space group: P n a 21 Cell volume: 169.942 Cell parameters: 5.27078; 6.46916; 4.98401; 90; 90; 90; |
| COD ID: 1521062 | |
| CIF file | Formula: - Mo4 O11 - Comments: Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H. Rietveld refinement of the crystal structure of gamma-(Mo4 O11) Powder Diffraction 14 (1999) 284-288 Space group: P n a 21 Cell volume: 901.799 Cell parameters: 24.47559; 6.7516; 5.4572; 90; 90; 90; |
| COD ID: 1521639 | |
| CIF file | Formula: - Gd H6 O15 Re3 - Comments: Mujica, C.; Llanos, J.; Peters, E.M.; Peters, K.; von Schnering, H.G. Synthesis, crystal structure, magnetic properties and thermal stability of Gd (Re O4)3 (H2 O)3 Boletin de la Sociedad Chilena de Quimica 45 (2000) 329-332 Space group: P n a 21 Cell volume: 1422.14 Cell parameters: 14.709; 8.436; 11.461; 90; 90; 90; |
| COD ID: 1521869 | |
| CIF file | Formula: - La O3 Y - Comments: Ruiz-Trejo, E.; Islam, M.S.; Kilner, J.A. Atomistic simulation of defects and ion migration in La Y O3 Solid State Ionics 123 (1999) 121-129 Space group: P n a 21 Cell volume: 305.791 Cell parameters: 6.052; 5.936; 8.512; 90; 90; 90; |
| COD ID: 1522133 | |
| CIF file | Formula: - K O4 P Zn - Comments: Wallez, G.; Lucas, F.; Souron, J.P.; Quarton, M. Potassium-zinc monophosphate: an original polymorphic tridymite derivate Materials Research Bulletin 34 (1999) 1251-1261 Space group: P n a 21 Cell volume: 428.397 Cell parameters: 8.7305; 9.1651; 5.3539; 90; 90; 90; |
| COD ID: 1523945 | |
| CIF file | Formula: - C24 H40 N4 O4 Si - Comments: Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S. Polyamide 6/silica hybrid materials by a coupled polymerization reaction Polym. Chem. 6(35) (2015) 6297 Space group: P n a 21 Cell volume: 2455.03 Cell parameters: 18.1083; 17.6737; 7.671; 90; 90; 90; |
| COD ID: 1525606 | |
| CIF file | Formula: - N4 Na2 O8 Pd - Comments: Baidina, I.A.; Gromilov, S.A.; Khranenko, S.P.; Vasil'ev, A.D.; Belyaev, A.V. Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4) Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 42 (2001) 145-150 Space group: P n a 21 Cell volume: 796.611 Cell parameters: 15.431; 4.606; 11.208; 90; 90; 90; |
| COD ID: 1525738 | |
| CIF file | Formula: - Cd0.8 Ge0.87 N1.1 O0.9 - Comments: Capitan, M.J.; Laurent, Y.; Louis dit Picard, C.; Odriozola, J.A. The crystalline structure of germanium oxynitrides within the Cd Zn Ge O N family Materials Science Forum 325 (2000) 25-30 Space group: P n a 21 Cell volume: 211.831 Cell parameters: 5.768; 6.806; 5.396; 90; 90; 90; |
| COD ID: 1525850 | |
| CIF file | Formula: - K0.896 Nb0.04 O5 P Ti0.96 - Comments: Losevskaya, T.Yu.; Alekseeva, O.A.; Yanovskii, V.K.; Ivanov, S.A.; Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Stefanovich, S.Yu.; Eriksson, S.; Zver'kov, S.A. Structure and properties of potassium titanyl phosphate crystals with niobium impurities Kristallografiya 45 (2000) 809-813 Space group: P n a 21 Cell volume: 869.321 Cell parameters: 12.814; 6.408; 10.587; 90; 90; 90; |
| COD ID: 1525932 | |
| CIF file | Formula: - B12 H17 N2 O0.5 - Comments: Dudenkov, I.V.; Zhizhin, K.Yu.; Goeva, L.V.; Chernyavskii, A.S.; Katser, S.B.; Sergienko, V.S.; Solntsev, K.A.; Kuznetsov, N.T. Synthesis and crystal structure of 1,7-(N H3)2 B12 H10 * 0.5(H2 O) Zhurnal Neorganicheskoi Khimii 45 (2000) 2016-2019 Space group: P n a 21 Cell volume: 2206.16 Cell parameters: 22.99; 10.293; 9.323; 90; 90; 90; |
| COD ID: 1525975 | |
| CIF file | Formula: - Cl3 H11 N4 O2 Ru - Comments: Emel'yanov, V.A.; Vasil'ev, A.D.; Baidina, I.A.; Gromilov, S.A.; Belyaev, A.V. Synthesis and crystal structure of nitrosoruthenium triammino complex (Ru N O (N H3)3 Cl (H2 O)) Cl2 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 41 (2000) 1242-1247 Space group: P n a 21 Cell volume: 933.636 Cell parameters: 13.151; 6.852; 10.361; 90; 90; 90; |
| COD ID: 1526180 | |
| CIF file | Formula: - Nb0.5 O4 Sb1.5 - Comments: Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S. Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties Journal of Solid State Chemistry 161 (2001) 57-62 Space group: P n a 21 Cell volume: 317.16 Cell parameters: 5.514; 4.8761; 11.7961; 90; 90; 90; |
| COD ID: 1526182 | |
| CIF file | Formula: - O4 Sb1.5 Ta0.5 - Comments: Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S. Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties Journal of Solid State Chemistry 161 (2001) 57-62 Space group: P n a 21 Cell volume: 316.677 Cell parameters: 5.5019; 4.8762; 11.8038; 90; 90; 90; |
| COD ID: 1526299 | |
| CIF file | Formula: - Al3 D1.18 K Na2 O12.59 Si3 - Comments: Healey, A.M.; Weller, M.T.; Johnson, G.M. The synthesis and characterisation of JBW-type zeolites. Part A: sodium/potassium aluminosilicate, Na2 K (Al3 Si3 O12) * 0.5(H2 O) Microporous and Mesoporous Materials 37 (2000) 153-163 Space group: P n a 21 Cell volume: 1269.71 Cell parameters: 16.29059; 15.0494; 5.17904; 90; 90; 90; |
| COD ID: 1526802 | |
| CIF file | Formula: - Ga Li O2 - Comments: Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V. Structure and properties of Li Ga O2 crystals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 37 (2001) 281-285 Space group: P n a 21 Cell volume: 171.922 Cell parameters: 5.395; 6.367; 5.005; 90; 90; 90; |
| COD ID: 1526804 | |
| CIF file | Formula: - Cr0.1 Ga0.9 Li O1.97 - Comments: Kuz'micheva, G.M.; Rybakov, V.B.; Gaister, A.V.; Zharikov, E.V. Structure and properties of Li Ga O2 crystals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 37 (2001) 281-285 Space group: P n a 21 Cell volume: 171.865 Cell parameters: 5.3956; 6.3675; 5.0024; 90; 90; 90; |
| COD ID: 1526806 | |
| CIF file | Formula: - Ga0.967 Li O2 V0.033 - Comments: Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V. Structure and properties of Li Ga O2 crystals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 37 (2001) 281-285 Space group: P n a 21 Cell volume: 172.981 Cell parameters: 5.3995; 6.3996; 5.006; 90; 90; 90; |
| COD ID: 1526808 | |
| CIF file | Formula: - Ga0.82 Li O1.94 V0.18 - Comments: Kuz'micheva, G.M.; Zharikov, E.V.; Rybakov, V.B.; Gaister, A.V. Structure and properties of Li Ga O2 crystals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 37 (2001) 281-285 Space group: P n a 21 Cell volume: 171.884 Cell parameters: 5.395; 6.367; 5.0039; 90; 90; 90; |
| COD ID: 1526819 | |
| CIF file | Formula: - Ga0.5 La4 Nb0.5 O14 Ti3 - Comments: Titov, Yu.O.; Belyavina, N.M.; Markiv, V.Ya.; Sich, A.M.; Slobodyanik, N.S.; Kapshuk, A.O. Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases Dopov. Nats. Akad. Nauk. Ukr. 2001 (2001) 147-150 Space group: P n a 21 Cell volume: 1118.47 Cell parameters: 25.773; 7.832; 5.541; 90; 90; 90; |
| COD ID: 1526821 | |
| CIF file | Formula: - Ga La4 Nb O14 Ti2 - Comments: Titov, Yu.O.; Sich, A.M.; Slobodyanik, N.S.; Belyavina, N.M.; Markiv, V.Ya.; Kapshuk, A.O. Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases Dopov. Nats. Akad. Nauk. Ukr. 2001 (2001) 147-150 Space group: P n a 21 Cell volume: 1127.06 Cell parameters: 25.839; 7.85; 5.5565; 90; 90; 90; |
| COD ID: 1526823 | |
| CIF file | Formula: - La4 Nb0.5 O14 Sc0.5 Ti3 - Comments: Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M. Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure Dopov. Nats. Akad. Nauk. Ukr. 2001 (2001) 158-162 Space group: P n a 21 Cell volume: 1133.6 Cell parameters: 25.891; 7.861; 5.5697; 90; 90; 90; |
| COD ID: 1526825 | |
| CIF file | Formula: - La4 Nb O14 Sc Ti2 - Comments: Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M. Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure Dopov. Nats. Akad. Nauk. Ukr. 2001 (2001) 158-162 Space group: P n a 21 Cell volume: 1153.01 Cell parameters: 26.074; 7.905; 5.594; 90; 90; 90; |
| COD ID: 1526845 | |
| CIF file | Formula: - Al Ge H2 Li O5 - Comments: Tripathi, A.; Parise, J.B.; Kim, S.-J.; Johnson, G.M. Synthesis and single-crystal structure of a lithium aluminogermanate with the zeolite ABW topology Microporous and Mesoporous Materials 34 (2000) 273-279 Space group: P n a 21 Cell volume: 448.857 Cell parameters: 10.61; 8.3; 5.097; 90; 90; 90; |
| COD ID: 1526938 | |
| CIF file | Formula: - Al2 Ba H4 O6 - Comments: Wen, F.-S.; Chen, J.-S.; Yu, Z.-T.; Chen, W. Synthesis and characterization of a new layered barium aluminate containing six-membered rings: Ba Al2 O3 (O H)2 * (H2 O) Journal of Solid State Chemistry 161 (2001) 243-248 Space group: P n a 21 Cell volume: 582.871 Cell parameters: 5.642; 9.887; 10.449; 90; 90; 90; |
| COD ID: 1526939 | |
| CIF file | Formula: - K O5 P Sn0.064 Ti0.936 - Comments: Wen, L.; Sorokina, N.I.; Yanovskii, V.K.; Vigdorchik, A.G.; Verin, I.A.; Voronkova, V.I.; Simonov, V.I. Atomic structure of K Ti0.93 Sn0.07 O P O4 single crystals Kristallografiya 45 (2000) 429-431 Space group: P n a 21 Cell volume: 870.499 Cell parameters: 12.831; 6.41; 10.584; 90; 90; 90; |
| COD ID: 1527385 | |
| CIF file | Formula: - H3 O3 P - Comments: Furberg, S.; Landmark, P. The crystal structure of phosphorous acid Acta Chemica Scandinavica (1-27,1973-42,1988) 11 (1957) 1505-1511 Space group: P n a 21 Cell volume: 600.582 Cell parameters: 7.27; 12.06; 6.85; 90; 90; 90; |
| COD ID: 1527509 | |
| CIF file | Formula: - Ce Ni Sn - Comments: Higashi, I.; Takabatake, T.; Kobayashi, K.; Kasaya, M. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd. 193 (1993) 300-302 Space group: P n a 21 Cell volume: 264.31 Cell parameters: 7.542; 7.617; 4.6009; 90; 90; 90; |
| COD ID: 1527510 | |
| CIF file | Formula: - Ce Pd Sn - Comments: Higashi, I.; Kobayashi, K.; Takabatake, T.; Kasaya, M. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd. 193 (1993) 300-302 Space group: P n a 21 Cell volume: 282.362 Cell parameters: 7.5356; 7.9648; 4.7045; 90; 90; 90; |
| COD ID: 1527511 | |
| CIF file | Formula: - Ce Pt Sn - Comments: Higashi, I.; Kobayashi, K.; Kasaya, M.; Takabatake, T. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd. 193 (1993) 300-302 Space group: P n a 21 Cell volume: 276.877 Cell parameters: 7.463; 8.0159; 4.6283; 90; 90; 90; |
| COD ID: 1527771 | |
| CIF file | Formula: - Dy H8 O16 Re3 - Comments: Mashonkin, V.P.; Ilyukhin, V.V.; Varfolomeev, M.B. Structure of the orthorhombic rare-earth perrhenate tetrahydrates Tr (Re O4)3 (H2 O)4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 3 (1977) 1014-1019 Space group: P n a 21 Cell volume: 1388.29 Cell parameters: 14.61; 8.35; 11.38; 90; 90; 90; |
| COD ID: 1527793 | |
| CIF file | Formula: - C2 Cs2 Mo O4 S5 - Comments: Mennemann, K.; Mattes, R. Ein monothiooxalato-O,S-Komplex des Molybdaens mit zwei (S2)(2-)-Liganden Angewandte Chemie (German Edition) 89 (1977) 269-270 Space group: P n a 21 Cell volume: 1237.04 Cell parameters: 11.831; 11.406; 9.167; 90; 90; 90; |
| COD ID: 1527891 | |
| CIF file | Formula: - H2 Hg I3 K O - Comments: Nyqvist, L.; Johansson, G. The crystal structure of potassium triiodidomercurate(II) monohydrate, K Hg I3 H2 O Acta Chemica Scandinavica (1-27,1973-42,1988) 25 (1971) 1615-1629 Space group: P n a 21 Cell volume: 926.944 Cell parameters: 8.6252; 9.3445; 11.5008; 90; 90; 90; |
| COD ID: 1528058 | |
| CIF file | Formula: - Fe P - Comments: Selte, K.; Kjekshus, A. Structural and magnetic properties of Fe P Acta Chemica Scandinavica (1-27,1973-42,1988) 26 (1972) 1276-1277 Space group: P n a 21 Cell volume: 93.211 Cell parameters: 5.193; 5.792; 3.099; 90; 90; 90; |
| COD ID: 1528105 | |
| CIF file | Formula: - Ba2 S4 Sn - Comments: Susa, K.; Steinfink, H. Ternary sulfide compounds A B2 S4: the crystal structures of Ge Pb2 S4 and Sn Ba2 S4 Journal of Solid State Chemistry 3 (1971) 75-82 Space group: P n a 21 Cell volume: 1654.31 Cell parameters: 17.823; 7.359; 12.613; 90; 90; 90; |
| COD ID: 1528213 | |
| CIF file | Formula: - Ge N2 Zn - Comments: Wintenberger, M.; Laurent, Y.; Maunaye, M. Groupe spatial et ordre des atomes de zinc et de germanium dans Zn Ge N2 Materials Research Bulletin 8 (1973) 1049-1054 Space group: P n a 21 Cell volume: 182.461 Cell parameters: 5.454; 6.441; 5.194; 90; 90; 90; |
| COD ID: 1528341 | |
| CIF file | Formula: - C H3 Co O4 P - Comments: Bauer, E.M.; Bellitto, C.; Mahmoud, M.R.; Portalone, G.; Ibrahim, S.A.; Colapietro, M.; Righini, G. Layered hybrid organic-inorganic Co(II) alkylphosphonates. Synthesis, crystal structure and magnetism of the first two members of the series: Co [(C H3 P O3) (H2 O)] and Co [(C2 H5 P O3) (H2 O)] Journal of Solid State Chemistry 179 (2006) 389-397 Space group: P n a 21 Cell volume: 471.974 Cell parameters: 17.413; 4.7856; 5.6638; 90; 90; 90; |
| COD ID: 1528498 | |
| CIF file | Formula: - C24 H48 Cl4 Mo2 N12 P4 - Comments: Frost, B.J.; Miller, S.B.; Rove, K.O.; Pearson, D.M.; Mebi, C.A.; Korinek, J.D.; Harkreader, J.L.; Shearer, J. Synthesis, characterization, and crystal structure of a quadruply bonded dimolybdenum(II) complex containing the water-soluble phosphine 1,3,5-triaza-7-phophaadamantane (PTA) Inorganica Chimica Acta 359 (2006) 283-288 Space group: P n a 21 Cell volume: 3682.87 Cell parameters: 24.082; 12.7912; 11.9559; 90; 90; 90; |
| COD ID: 1528537 | |
| CIF file | Formula: - O7 P2 Sr2 - Comments: Grenier, J.C.; Masse, R. Mise au point sur la structure cristallographique de alpha-Sr2 P2 O7 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 285-292 Space group: P n a 21 Cell volume: 634.429 Cell parameters: 8.87; 13.27; 5.39; 90; 90; 90; |
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