Crystallography Open Database
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Searching space group like 'P n a 21'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000098 | CIF | Al F6 Na Sr | P n a 21 | 18.303; 5.3122; 9.42 90; 90; 90 | 915.9 | Hemon, A; Le Bail, A; Courbion, G Synthesis and crystal structure of NaSrAlF~6~ European Journal of Solid State Inorganic Chemistry, 1990, 27, 905-912 |
1000298 | CIF | K O5 Sb Si | P n a 21 | 13.005; 6.4748; 10.614 90; 90; 90 | 893.7 | 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, 1990, 27, 845-854 |
1000359 | CIF | F Fe H4 N O4 P | P n a 21 | 12.993; 6.468; 10.64 90; 90; 90 | 894.2 | Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G NH~4~FePO~4~F: structural study and magnetic properties Journal of Solid State Chemistry, 1994, 111, 390-396 |
1000442 | CIF | Al2 O3 | P n a 21 | 4.8437; 8.33; 8.9547 90; 90; 90 | 361.3 | 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, 1997, 7, 1049-1056 |
1001371 | CIF | K2 O17 P4 V3 | P n a 21 | 17.407; 11.3438; 7.2964 90; 90; 90 | 1440.8 | 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, 1988, 77, 170-179 |
1004067 | CIF | Nd O4 Os | P n a 21 | 14.859; 7.55; 5.487 90; 90; 90 | 615.6 | 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, 1980, 42, 1627-1630 |
1006083 | CIF | Cu2 Ho2 O5 | P n a 21 | 10.8096; 3.4962; 12.4735 90; 90; 90 | 471.4 | 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, 1995, 115, 324-331 |
1006084 | CIF | Cu2 O5 Y2 | P n a 21 | 10.796; 3.494; 12.4546 90; 90; 90 | 469.8 | 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, 1995, 115, 324-331 |
1006085 | CIF | Cu2 Er2 O5 | P n a 21 | 10.7839; 3.4745; 12.4434 90; 90; 90 | 466.2 | 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, 1995, 115, 324-331 |
1006086 | CIF | Cu2 O5 Tm2 | P n a 21 | 10.7353; 3.4575; 12.3704 90; 90; 90 | 459.2 | 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, 1995, 115, 324-331 |
1006087 | CIF | Cu2 O5 Yb2 | P n a 21 | 10.729; 3.4355; 12.3531 90; 90; 90 | 455.3 | 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, 1995, 115, 324-331 |
1007233 | CIF | Ca4 H32 K2 O46 P10 | P n a 21 | 14.773; 15.758; 19.91409 90; 90; 90 | 4635.9 | 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, 1996, 33, 1091-1100 |
1008187 | CIF | F2 O4 Rb S Sb | P n a 21 | 9.601; 11.51; 5.202 90; 90; 90 | 574.9 | 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, 1982, 43, 81-86 |
1008191 | CIF | Fe Na O2 | P n a 21 | 5.672; 7.136; 5.377 90; 90; 90 | 217.6 | Bertaut, E. F.; Delapalme, A.; Bassi, G. Structure magnétique de β-FeNaO~2~ et affinement des positions atomique Journal de Physique (Paris), 1964, 25, 545-549 |
1008319 | CIF | Ba1.14 K0.72 S4 V | P n a 21 | 9.158; 12.144; 6.729 90; 90; 90 | 748.4 | 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, 1986, 61, 332-337 |
1008335 | CIF | As H2 Li O4 | P n a 21 | 6.416; 7.727; 7.298 90; 90; 90 | 361.8 | Fanchon, E.; Vicat, J.; Tran Qui, Duc; Boudjada, A. Absolute structure of LiH~2~AsO~4~ Acta Crystallographica, Section C: Crystal Structure Communications, 1987, 43, 1022-1025 |
1008807 | CIF | K0.008 Na0.992 O5 P Ti | P n a 21 | 12.555; 6.258; 10.554 90; 90; 90 | 829.2 | 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-), 1997, 53, 1173-1176 |
1008834 | CIF | Er2 F7 K | P n a 21 | 11.82; 13.333; 7.816 90; 90; 90 | 1231.8 | 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, 1980, 34, 79-89 |
1008927 | CIF | Fe Na O2 | P n a 21 | 5.672; 7.136; 5.377 90; 90; 90 | 217.6 | 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, 1963, 257, 421-424 |
1009034 | CIF | Fe Na O2 | P n a 21 | 5.672; 7.136; 5.377 90; 90; 90 | 217.6 | 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), 1954, 239, 429-431 |
1011144 | CIF | O4 Sb Ta | P n a 21 | 4.916; 5.542; 11.78 90; 90; 90 | 320.9 | Dihlstroem, K Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1938, 239, 57-64 |
1100022 | CIF | Ca O4 Si Sr | P n a 21 | 20.871; 9.496; 5.6 90; 90; 90 | 1109.9 | 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, 1982, 267, 641-644 |
1100141 | CIF | C18 H16 O3 | P n a 21 | 7.4026; 15.023; 12.308 90; 90; 90 | 1368.8 | no bibliography |
1100230 | CIF | C20 H20 Br2 N4 Ni | P n a 21 | 15.929; 9.438; 14.13 90; 90; 90 | 2124.27 | 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, 2001, 627, 1928-1931 |
1100235 | CIF | C14 H22 O2 | P n a 21 | 10.608; 18.5975; 6.4587 90; 90; 90 | 1274.19 | Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus Synthesis of a Mesogenic Compound with a Defined Conformation Synlett, 2001, 2001, 960-963 |
1100279 | CIF | C38 H56 Li2 N4 O4 S2 | P n a 21 | 17.051; 10.017; 23.759 90; 90; 90 | 4058.03 | 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, 1985, 24, 573-575 |
1100348 | CIF | C40 H84 Li4 N8 | P n a 21 | 22.077; 12.23; 16.528 90; 90; 90 | 4462.59 | 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, 1992, 31, 1205-1207 |
1100407 | CIF | C18 H15 Cl2 I N P | P n a 21 | 15.228; 14.083; 8.658 90; 90; 90 | 1856.76 | 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, 1995, 621, 1489-1495 |
1100475 | CIF | C28 H65 B3 Cl8 N3 P3 | P n a 21 | 19.765; 8.602; 26.127 90; 90; 90 | 4442.07 | 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, 1996, 622, 1692-1700 |
1100484 | CIF | C11 H24 Cl4 N2 Nb P | P n a 21 | 16.272; 8.763; 13.353 90; 90; 90 | 1904.02 | 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, 1996, 622, 1927-1934 |
1100680 | CIF | C15 H14 N2 O2 | P n a 21 | 23.516; 5.364; 21.872 90; 90; 90 | 2758.7 | 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, 2003, 19, x61-x62 |
1100802 | CIF | C17 H30 Cl F6 N6 O3 P3 Ru | P n a 21 | 26.2152; 14.954; 6.4535 90; 90; 90 | 2529.9 | Mebi, Charles A.; Frost, Brian J. Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H Organometallics, 2005, 24, 2339-2346 |
1100900 | CIF | C44 H92 Ge I2 Li2 N2 O3 P2 Si4 | P n a 21 | 48.748; 11.2312; 11.141 90; 90; 90 | 6099.7 | 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, 2005, 24, 2157-2167 |
1101219 | CIF | C258 H579 N17 O156 Si4 Ti8 W40 | P n a 21 | 29.166; 38.497; 37.405 90; 90; 90 | 41998.1 | 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, 2006, 45, 2347-2356 |
1501746 | CIF | C9 H40 F N15 O12 S3 | P n a 21 | 20.353; 14.179; 10.415 90; 90; 90 | 3005.6 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
1501915 | CIF | C32 H23 N | P n a 21 | 17.827; 11.746; 11.045 90; 90; 90 | 2312.8 | 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, 2011, 13, 478-481 |
1501938 | CIF | C24 H28 O6 | P n a 21 | 12.6475; 11.3248; 14.4129 90; 90; 90 | 2064.37 | Stewart, Craig; McDonald, Robert; West, F. G. Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift. Organic letters, 2011, 13, 720-723 |
1502099 | CIF | C34 H30 O6 S3 | P n a 21 | 20.8115; 17.7466; 8.0099 90; 90; 90 | 2958.3 | 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, 2011, 13, 2364-2367 |
1502136 | CIF | C28 H19 P S | P n a 21 | 9.4741; 12.37; 17.179 90; 90; 90 | 2013.3 | Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction. Organic letters, 2011, 13, 2130-2133 |
1502149 | CIF | C15 H21 Br N2 O2 S | P n a 21 | 14.897; 7.9148; 14.525 90; 90; 90 | 1712.6 | Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung N-bromosuccinimide initiated one-pot synthesis of imidazoline. Organic letters, 2011, 13, 2448-2451 |
1502240 | CIF | C19 H17 N O2 S | P n a 21 | 14.78; 17.617; 6.08 90; 90; 90 | 1583.1 | 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, 2011, 13, 3190-3193 |
1502378 | CIF | C16 H19 Br N2 O2 | P n a 21 | 9.8637; 7.3755; 21.361 90; 90; 90 | 1554 | Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F. Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds. Organic letters, 2011, 13, 4542-4545 |
1502428 | CIF | C23 H20 N2 O3 | P n a 21 | 21.9909; 13.9411; 6.3316 90; 90; 90 | 1941.13 | 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, 2011, 13, 4668-4671 |
1502513 | CIF | C23 H17 N | P n a 21 | 7.468; 19.561; 11.277 90; 90; 90 | 1647.4 | 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, 2011, 13, 5394-5397 |
1502535 | CIF | C21 H20 N2 O2 S | P n a 21 | 17.577; 7.597; 13.745 90; 90; 90 | 1835.4 | Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines. Organic letters, 2011, 13, 5972-5975 |
1502770 | CIF | C23 H17 I2 N O2 S2 | P n a 21 | 8.628; 14.8751; 17.4444 90; 90; 90 | 2238.86 | Song, Changsik; Walker, D. Barney; Swager, Timothy M. Conducting Thiophene-Annulated Azepine Polymers Macromolecules, 2010, 43, 5233 |
1502903 | CIF | C12 H12 Br N O3 S | P n a 21 | 20.724; 5.8436; 10.4288 90; 90; 90 | 1262.96 | 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, 2010, 12, 1944-1947 |
1503025 | CIF | C26 H20 N2 | P n a 21 | 18.6734; 8.9202; 11.2248 90; 90; 90 | 1869.72 | 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, 2010, 12, 3312-3315 |
1503143 | CIF | C18 H20 Cl3 N O6 S2 | P n a 21 | 11.6761; 20.3879; 9.3747 90; 90; 90 | 2231.66 | Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups. Organic letters, 2010, 12, 3690-3692 |
1503145 | CIF | C14 H18 Cl3 N O6 S | P n a 21 | 22.6616; 6.417; 13.3006 90; 90; 90 | 1934.17 | Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups. Organic letters, 2010, 12, 3690-3692 |
1503231 | CIF | C29 H46 N4 O3 | P n a 21 | 16.092; 13.971; 12.527 90; 90; 90 | 2816.34 | 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, 2010, 12, 4592-4595 |
1503232 | CIF | C29 H44 Cl2 N4 O3 | P n a 21 | 16.1444; 14.8471; 12.468 90; 90; 90 | 2988.5 | 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, 2010, 12, 4592-4595 |
1503233 | CIF | C29 H45 Br2 N3 O | P n a 21 | 15.8418; 14.3022; 13.0883 90; 90; 90 | 2965.5 | 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, 2010, 12, 4592-4595 |
1503253 | CIF | C18 H13 N O Se | P n a 21 | 12.3938; 18.8824; 5.9739 90; 90; 90 | 1398.04 | Balkrishna, Shah Jaimin; Bhakuni, Bhagat Singh; Chopra, Deepak; Kumar, Sangit Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles. Organic letters, 2010, 12, 5394-5397 |
1503337 | CIF | C16 H16 N2 S | P n a 21 | 22.1067; 8.7972; 7.6712 90; 90; 90 | 1491.87 | 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, 2010, 12, 84-87 |
1503356 | CIF | C16 H17 N O3 S2 | P n a 21 | 11.86; 21.361; 6.275 90; 90; 90 | 1589.7 | Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun Polarity-reversible conjugate addition tuned by remote electronic effects Organic Letters, 2010, 12, 244-247 |
1503391 | CIF | C44 H30 | P n a 21 | 11.5889; 21.2681; 12.6708 90; 90; 90 | 3123 | Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D. Hexaphenylbenzenes as potential acetylene sponges. Organic letters, 2010, 12, 380-383 |
1503425 | CIF | C22 H24 O | P n a 21 | 14.9632; 18.7349; 6.3505 90; 90; 90 | 1780.3 | 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, 2010, 12, 936-939 |
1503488 | CIF | C19 H20 N2 O3 S | P n a 21 | 19.9856; 9.602; 9.2975 90; 90; 90 | 1784.21 | 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, 2012, 14, 66-69 |
1503672 | CIF | C7 H9 N5 S | P n a 21 | 18.5732; 5.5273; 17.2799 90; 90; 90 | 1773.95 | 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, 2009, 52, 5032-5043 |
1503850 | CIF | C12 H17 N O | P n a 21 | 11.599; 11.489; 17.193 90; 90; 90 | 2291.2 | Ueki, Hisanori; Soloshonok, Vadim A. New sterically driven mode for generation of helical chirality. Organic letters, 2009, 11, 1797-1800 |
1503855 | CIF | C25 H29 N O5 | P n a 21 | 12.3843; 25.9281; 6.9484 90; 90; 90 | 2231.1 | Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor. Organic letters, 2009, 11, 1939-1942 |
1504088 | CIF | C18 H18 Cl3 N O3 | P n a 21 | 10.096; 14.429; 13.147 90; 90; 90 | 1915.2 | 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, 2009, 11, 4044-4047 |
1504091 | CIF | C21 H20 O | P n a 21 | 21.2315; 6.5111; 10.7839 90; 90; 90 | 1490.77 | 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, 2009, 11, 3886-3889 |
1504123 | CIF | C21 H12 N2 O | P n a 21 | 15.884; 4.626; 19.4181 90; 90; 90 | 1426.83 | Haag, Benjamin; Peng, Zhihua; Knochel, Paul Preparation of polyfunctional indazoles and heteroarylazo compounds using highly functionalized zinc reagents. Organic letters, 2009, 11, 4270-4273 |
1504172 | CIF | C13 H20 N2 Si | P n a 21 | 10.6; 14.995; 8.7526 90; 90; 90 | 1391.2 | Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes. Organic letters, 2009, 11, 4458-4461 |
1504235 | CIF | C24 H20 O2 | P n a 21 | 10.3835; 18.167; 9.6747 90; 90; 90 | 1825 | 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, 2009, 11, 5038-5041 |
1504280 | CIF | C18 H20 N8 O2 S2 | P n a 21 | 13.075; 16.85; 9.3 90; 90; 90 | 2049 | 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, 2009, 11, 5290-5293 |
1504299 | CIF | C10 H7 Br N4 O2 | P n a 21 | 10.595; 7.426; 13.938 90; 90; 90 | 1096.6 | 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, 2009, 11, 5502-5505 |
1504485 | CIF | C18 H23 N O | P n a 21 | 12.8059; 8.5365; 14.3248 90; 90; 90 | 1565.95 | Dunet, Guillaume; Mayer, Peter; Knochel, Paul Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds. Organic letters, 2008, 10, 117-120 |
1504797 | CIF | C18 H20 O2 | P n a 21 | 7.341; 12.153; 15.548 90; 90; 90 | 1387.1 | 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, 2008, 10, 3137-3139 |
1504866 | CIF | C17 H17 B I P | P n a 21 | 17.355; 5.8125; 16.063 90; 90; 90 | 1620.4 | 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, 2008, 10, 4425-4428 |
1504868 | CIF | C17 H17 B Br P | P n a 21 | 17.726; 5.6695; 15.75 90; 90; 90 | 1582.8 | 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, 2008, 10, 4425-4428 |
1505002 | CIF | C18 H16 N4 O3 | P n a 21 | 8.9484; 13.398; 14.421 90; 90; 90 | 1728.9 | 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, 2008, 21, 295-307 |
1505036 | CIF | C12 H26 Cl2 N2 O9 Pt | P n a 21 | 23.5231; 10.6395; 8.1822 90; 90; 90 | 2047.79 | 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, 2007, 50, 6692-6699 |
1505253 | CIF | C11 H12 Br2 | P n a 21 | 13.0891; 10.9312; 14.527 90; 90; 90 | 2078.5 | 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, 2007, 9, 113-115 |
1505254 | CIF | C11 H12 Br2 | P n a 21 | 12.886; 11.131; 7.185 90; 90; 90 | 1030.6 | 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, 2007, 9, 113-115 |
1505274 | CIF | C16 H19 N O4 | P n a 21 | 7.434; 11.335; 16.304 90; 90; 90 | 1373.8 | 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, 2007, 9, 615-618 |
1505471 | CIF | C18 H10 N2 O3 | P n a 21 | 19.635; 4.6545; 14.8606 90; 90; 90 | 1358.13 | 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, 2007, 9, 2915-2918 |
1505541 | CIF | C17 H21 N O5 | P n a 21 | 18.3891; 9.4372; 18.776 90; 90; 90 | 3258.42 | Isambert, Nicolas; Cruz, Montse; Arévalo, María José; Gómez, Elena; Lavilla, Rodolfo Enol esters: versatile substrates for Mannich-type multicomponent reactions. Organic letters, 2007, 9, 4199-4202 |
1505790 | CIF | C24 H28 N2 O2 | P n a 21 | 12.593; 9.041; 36.256 90; 90; 90 | 4127.87 | 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, 2006, 39, 7250 |
1505819 | CIF | C25 H32 N2 O7 S | P n a 21 | 11.972; 12.187; 17.556 90; 90; 90 | 2561.5 | Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A. Organic letters, 2006, 8, 27-30 |
1505882 | CIF | C19 H17 N O4 | P n a 21 | 14.582; 18.285; 5.944 90; 90; 90 | 1584.9 | 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, 2006, 8, 1323-1325 |
1505909 | CIF | C22 H14 N4 | P n a 21 | 23.964; 6.054; 11.16 90; 90; 90 | 1619.1 | Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak Photodimerizable ditopic ligand. Organic letters, 2006, 8, 1987-1990 |
1505929 | CIF | C22 H18 N2 O6 | P n a 21 | 16.0866; 17.8033; 7.1185 90; 90; 90 | 2038.7 | König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M. Solid-phase synthesis of oligo(p-benzamide) foldamers. Organic letters, 2006, 8, 1819-1822 |
1506101 | CIF | C21 H17 N2 | P n a 21 | 6.2294; 17.619; 14.104 90; 90; 90 | 1548 | Magnus, Philip; Turnbull, Rachel Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles. Organic letters, 2006, 8, 3497-3499 |
1506147 | CIF | C18 H30 O4 | P n a 21 | 15.6987; 7.7054; 29.3165 90; 90; 90 | 3546.26 | Crawford, Claire; Nelson, Adam; Patel, Ian Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B. Organic letters, 2006, 8, 4231-4234 |
1506212 | CIF | C25 H15 F12 N O2 S | P n a 21 | 10.371; 16.811; 14.108 90; 90; 90 | 2459.7 | 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, 2006, 8, 4625-4627 |
1506243 | CIF | C17 H19 N O2 | P n a 21 | 20.5365; 5.2508; 26.4263 90; 90; 90 | 2849.63 | 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, 2006, 8, 4959-4961 |
1506288 | CIF | C7 H10 Cl3 N3 O S | P n a 21 | 9.2416; 8.772; 15.567 90; 90; 90 | 1262 | Basheer, Ahmad; Rappoport, Zvi The first example of isomeric solid amide and its enol. Organic letters, 2006, 8, 5931-5934 |
1506307 | CIF | C32 H24 Cl2 N10 | P n a 21 | 13.007; 14.042; 16.794 90; 90; 90 | 3067.3 | 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, 2006, 8, 5967-5970 |
1506404 | CIF | C20 H23 B N2 | P n a 21 | 16.8983; 13.5687; 7.4844 90; 90; 90 | 1716.08 | 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, 2005, 109, 20433-20443 |
1506447 | CIF | C24 H36 O2 | P n a 21 | 15.0286; 7.485; 39.3182 90; 90; 90 | 4422.87 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
1506518 | CIF | C20 H16 N4 | P n a 21 | 8.3581; 23.522; 7.8293 90; 90; 90 | 1539.2 | Davis, Riju; Tamaoki, Nobuyuki Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene. Organic letters, 2005, 7, 1461-1464 |
1506531 | CIF | C27 H25 N | P n a 21 | 11.8742; 14.427; 11.6716 90; 90; 90 | 1999.45 | 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, 2005, 7, 1525-1528 |
1506555 | CIF | C20 H18 Br Cl O | P n a 21 | 27.093; 6.392; 10.547 90; 90; 90 | 1826.5 | 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, 2005, 7, 1769-1772 |
1506668 | CIF | C12 H11 Br O2 | P n a 21 | 7.0914; 24.615; 6.3857 90; 90; 90 | 1114.7 | 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, 2005, 7, 3789-3791 |
1506742 | CIF | C24 H38 Cl2 N2 O2 | P n a 21 | 12.8244; 16.1213; 12.0929 90; 90; 90 | 2500.2 | 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, 2005, 7, 5413-5415 |
1506788 | CIF | C20 H28 O3 | P n a 21 | 11.07; 18.754; 8.287 90; 90; 90 | 1720.4 | 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, 2005, 7, 5921-5923 |
1506819 | CIF | C13 H9 N5 | P n a 21 | 10.208; 22.983; 5.041 90; 90; 90 | 1182.7 | 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, 2004, 108, 8531 |
1506910 | CIF | C22 H39 N O2 Si2 | P n a 21 | 21.838; 9.844; 12.235 90; 90; 90 | 2630.2 | Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates. Organic letters, 2004, 6, 783-786 |
1507047 | CIF | C26 H28 O5 | P n a 21 | 11.4843; 23.5263; 8.0456 90; 90; 90 | 2173.79 | 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, 2004, 6, 3257-3259 |
1507146 | CIF | C20 H18 O2 | P n a 21 | 9.947; 20.244; 7.9602 90; 90; 90 | 1602.9 | 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, 2012, 14, 1218-1221 |
1507187 | CIF | C16 H10 S | P n a 21 | 12.2001; 25.9168; 7.495 90; 90; 90 | 2369.83 | Koch, Michael; Blacque, Olivier; Venkatesan, Koushik Syntheses and tunable emission properties of 2-alkynyl azulenes. Organic letters, 2012, 14, 1580-1583 |
1507285 | CIF | C21 H20 N2 O2 S | P n a 21 | 15.107; 6.18; 19.739 90; 90; 90 | 1842.9 | 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, 2003, 5, 1313-1316 |
1507315 | CIF | C6 H11 N S7 | P n a 21 | 12.099; 7.654; 14.849 90; 90; 90 | 1375.1 | 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, 2003, 5, 1939-1942 |
1507354 | CIF | C15 H21 N O2 | P n a 21 | 12.556; 9.61; 10.967 90; 90; 90 | 1323.3 | 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, 2003, 5, 2915-2918 |
1507376 | CIF | C28 H25 N3 O4 | P n a 21 | 26.465; 9.181; 9.973 90; 90; 90 | 2423.2 | 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, 2003, 5, 3923-3926 |
1507411 | CIF | C72 H104 N6 O10 S2 | P n a 21 | 23.8484; 20.3212; 15.0907 90; 90; 90 | 7313.4 | 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, 2003, 5, 4971-4974 |
1507928 | CIF | C44 H35 Cl Fe Ir N O4 P2 | P n a 21 | 17.8247; 11.4245; 35.8766 90; 90; 90 | 7305.8 | Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry, 2011, 3, 287-290 |
1507973 | CIF | C16 H25 B10 Cl2 P Pt S | P n a 21 | 14.2619; 11.1469; 15.0388 90; 90; 90 | 2390.81 | 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, 2011, 3, 590-596 |
1508225 | CIF | C16 H21 B F4 Fe N2 O2 | P n a 21 | 17.084; 13.9877; 7.6984 90; 90; 90 | 1839.65 | 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, 2012, 390, 83-94 |
1508260 | CIF | C24 H16 N2 | P n a 21 | 19.5; 6.929; 26.031 90; 90; 90 | 3517 | 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, 2012, 116, 15146 |
1508372 | CIF | C14 H9 F N2 O S | P n a 21 | 22.43; 8.1478; 13.522 90; 90; 90 | 2471.2 | Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 254-259 |
1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | 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, 2012, 2, 1058-1066 |
1508600 | CIF | C26 H16 N O3 | P n a 21 | 11.4787; 12.459; 27.785 90; 90; 90 | 3973.6 | Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones. Organic letters, 2012, 14, 4994-4997 |
1508676 | CIF | C19 H19 B F2 N4 O | P n a 21 | 13.339; 18.975; 6.8571 90; 90; 90 | 1735.6 | 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, 2012, 14, 5226-5229 |
1508880 | CIF | C69 H78 F12 Fe2 N2 O15 P2 | P n a 21 | 21.8315; 10.7382; 29.5987 90; 90; 90 | 6938.9 | 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, 2013, 15, 534-537 |
1509215 | CIF | Ag Al O2 | P n a 21 | 5.4306; 6.9802; 5.3751 90; 90; 90 | 203.752 | 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, 2004, 177, 889-894 |
1509336 | CIF | Ag Fe O6 Se2 | P n a 21 | 13.975; 5.249; 7.609 90; 90; 90 | 558.156 | 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., 2000, 308, 71-76 |
1509403 | CIF | Ag In S2 | P n a 21 | 6.9972; 8.2733; 6.6939 90; 90; 90 | 387.509 | 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, 2001, 36, 2507-2517 |
1509501 | CIF | Ag O5 Sb Si | P n a 21 | 12.832; 6.331; 10.727 90; 90; 90 | 871.455 | 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, 1994, 39, 355-362 |
1509876 | CIF | Ag4 I2 O4 Se | P n a 21 | 9.35141; 13.1552; 7.0866 90; 90; 90 | 871.791 | 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, 2008, 634, 1071-1076 |
1509986 | CIF | Ag8 S6 Sn | P n a 21 | 15.298; 7.548; 10.699 90; 90; 90 | 1235.41 | 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 |
1509988 | CIF | Ag8 S6 Ti | P n a 21 | 15.095; 7.462; 10.641 90; 90; 90 | 1198.59 | 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, 2002, 154, 723-727 |
1511337 | CIF | B1.14 F0.58 Mg2 O3.42 | P n a 21 | 20.44; 4.53; 11.8 90; 90; 90 | 1092.6 | 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, 1975, 20, 740-745 |
1511766 | CIF | C11 H24 Cl2 N2 O12 Ru | P n a 21 | 18.571; 7.464; 14.617 90; 90; 90 | 2026.1 | 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, 1995, 2, 211-219 |
1511826 | CIF | C26 H25 N9 O2 | P n a 21 | 12.4315; 25.1447; 7.779 90; 90; 90 | 2431.61 | 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, 2013, 117, 3614 |
1511876 | CIF | C38 H32 | P n a 21 | 29.183; 9.2281; 20.653 90; 90; 90 | 5561.9 | 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, 2013, 15, 1362-1365 |
1511884 | CIF | C17 H14 Cl N O | P n a 21 | 12.5875; 17.8684; 6.0173 90; 90; 90 | 1353.4 | 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, 2013, 15, 1350-1353 |
1511940 | CIF | C20 H21 Cl N2 O2 | P n a 21 | 12.492; 12.566; 11.401 90; 90; 90 | 1789.7 | 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, 2013, 15, 2088 |
1511952 | CIF | C42 H39 O7.5 P2 S4.5 | P n a 21 | 17.7602; 10.5542; 21.7285 90; 90; 90 | 4072.9 | Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters, 2013, 15, 2179 |
1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | 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, 2013, 117, 9416 |
1511980 | CIF | C19 H18 N2 O | P n a 21 | 15.393; 10.798; 9.5855 90; 90; 90 | 1593.2 | 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, 2013, 117, 9416 |
1511981 | CIF | C19 H18 N2 O | P n a 21 | 15.3711; 10.7478; 9.5826 90; 90; 90 | 1583.1 | 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, 2013, 117, 9416 |
1511983 | CIF | C3 H4 N2 | P n a 21 | 7.054; 12.84; 8.232 90; 90; 90 | 745.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511984 | CIF | C3 H4 N2 | P n a 21 | 6.971; 12.783; 8.247 90; 90; 90 | 734.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511985 | CIF | C3 H4 N2 | P n a 21 | 6.8805; 12.6682; 8.209 90; 90; 90 | 715.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511994 | CIF | C3 H4 N2 | P n a 21 | 6.8012; 12.5689; 8.2278 90; 90; 90 | 703.34 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511995 | CIF | C3 H4 N2 | P n a 21 | 6.8045; 12.5768; 8.2278 90; 90; 90 | 704.13 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511996 | CIF | C3 H4 N2 | P n a 21 | 6.8163; 12.5868; 8.2275 90; 90; 90 | 705.88 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511997 | CIF | C3 H4 N2 | P n a 21 | 6.8245; 12.5972; 8.2273 90; 90; 90 | 707.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511998 | CIF | C3 H4 N2 | P n a 21 | 6.8306; 12.6103; 8.2284 90; 90; 90 | 708.76 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511999 | CIF | C3 H4 N2 | P n a 21 | 6.8442; 12.6228; 8.2283 90; 90; 90 | 710.87 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512000 | CIF | C3 H4 N2 | P n a 21 | 6.8508; 12.6373; 8.2299 90; 90; 90 | 712.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512001 | CIF | C3 H4 N2 | P n a 21 | 6.8614; 12.65; 8.2274 90; 90; 90 | 714.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512002 | CIF | C3 H4 N2 | P n a 21 | 6.8794; 12.6652; 8.2302 90; 90; 90 | 717.09 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512003 | CIF | C3 H4 N2 | P n a 21 | 6.8902; 12.6822; 8.2327 90; 90; 90 | 719.4 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512004 | CIF | C3 H4 N2 | P n a 21 | 6.903; 12.6968; 8.2321 90; 90; 90 | 721.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512005 | CIF | C3 H4 N2 | P n a 21 | 6.9155; 12.7076; 8.2322 90; 90; 90 | 723.44 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512006 | CIF | C3 H4 N2 | P n a 21 | 6.9234; 12.7234; 8.2337 90; 90; 90 | 725.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512007 | CIF | C3 H4 N2 | P n a 21 | 6.9397; 12.7371; 8.2303 90; 90; 90 | 727.49 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512008 | CIF | C3 H4 N2 | P n a 21 | 6.9533; 12.7634; 8.2281 90; 90; 90 | 730.23 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512009 | CIF | C3 H4 N2 | P n a 21 | 6.9692; 12.7818; 8.2245 90; 90; 90 | 732.63 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512010 | CIF | C3 H4 N2 | P n a 21 | 6.9782; 12.798; 8.2237 90; 90; 90 | 734.43 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512011 | CIF | C3 H4 N2 | P n a 21 | 6.9934; 12.8124; 8.2255 90; 90; 90 | 737.02 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512012 | CIF | C3 H4 N2 | P n a 21 | 7.01; 12.831; 8.2285 90; 90; 90 | 740.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512013 | CIF | C3 H4 N2 | P n a 21 | 7.0252; 12.8396; 8.2185 90; 90; 90 | 741.31 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512014 | CIF | C3 H4 N2 | P n a 21 | 7.0396; 12.8637; 8.22 90; 90; 90 | 744.36 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512015 | CIF | C3 H4 N2 | P n a 21 | 7.0814; 12.8818; 8.2503 90; 90; 90 | 752.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512110 | CIF | C30 H23 N3 O | P n a 21 | 36.9495; 10.683; 5.611 90; 90; 90 | 2214.84 | Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters, 2013, 15, 2842-2845 |
1512208 | CIF | C15 H12 O3 | P n a 21 | 22.827; 4.0137; 13.1725 90; 90; 90 | 1206.87 | 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, 2013, 15, 4106-4109 |
1512231 | CIF | C20 H19 N O2 | P n a 21 | 9.513; 18.292; 9.488 90; 90; 90 | 1651 | Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans. Organic letters, 2013, 15, 3978-3981 |
1512397 | CIF | C23 H22 N2 O3 Pd S | P n a 21 | 16.2065; 9.4982; 14.2443 90; 90; 90 | 2192.66 | 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, 2012, 390, 105-118 |
1512428 | CIF | C48 H32 N8 O10 Zn2 | P n a 21 | 19.0056; 9.6048; 23.971 90; 90; 90 | 4375.8 | 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, 2012, 392, 16-24 |
1512455 | CIF | C48 H34 N4 O14 Zn2 | P n a 21 | 14.207; 23.962; 12.772 90; 90; 90 | 4348 | 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, 2012, 392, 77-83 |
1512917 | CIF | C16 H11 F9 N2 O6 Sr | P n a 21 | 18.967; 14.068; 8.31 90; 90; 90 | 2217 | 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, 2007, 26, 5095-5103 |
1512927 | CIF | C5 H15 Br3 La O5 | P n a 21 | 12.3556; 9.9655; 12.5633 90; 90; 90 | 1546.9 | 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, 2010, 29, 1784-1795 |
1513017 | CIF | C31 H37 Cu N7 O10 | P n a 21 | 13.2675; 10.2369; 24.371 90; 90; 90 | 3310 | 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, 2013, 397, 32-37 |
1513018 | CIF | C31 H37 N7 Ni O10 | P n a 21 | 13.169; 10.2444; 24.607 90; 90; 90 | 3319.7 | 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, 2013, 397, 32-37 |
1513019 | CIF | C31 H37 Co N7 O10 | P n a 21 | 13.1567; 10.2929; 24.723 90; 90; 90 | 3348 | 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, 2013, 397, 32-37 |
1513130 | CIF | C15 H14 O2 | P n a 21 | 16.7078; 7.0015; 20.3649 90; 90; 90 | 2382.3 | 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, 2013, 15, 5970 |
1513132 | CIF | C19 H18 | P n a 21 | 15.9505; 14.6663; 5.851 90; 90; 90 | 1368.75 | 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, 2013, 15, 5970 |
1513401 | CIF | C81 H108 F15 N15 O9 | P n a 21 | 41.2339; 13.6303; 15.0005 90; 90; 90 | 8430.7 | 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, 2014, 16, 366-369 |
1513402 | CIF | C81 H108 F15 N15 O9 | P n a 21 | 41.238; 13.6194; 14.9845 90; 90; 90 | 8415.8 | 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, 2014, 16, 366-369 |
1513450 | CIF | C22 H33 Cu N P | P n a 21 | 18.6292; 9.3181; 12.5012 90; 90; 90 | 2170.1 | 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, 2014, 16, 1264-1267 |
1513619 | CIF | C62 H106 Mg2 N6 Na4 | P n a 21 | 16.9437; 16.1245; 23.5059 90; 90; 90 | 6422 | 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, 2014, 5, 771 |
1513640 | CIF | C60 H62 N2 O6 | P n a 21 | 22.956; 9.4115; 22.7754 90; 90; 90 | 4920.6 | 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, 2014, 5, 608 |
1513678 | CIF | C14 H25 Cl2 F3 N O4 P S | P n a 21 | 17.333; 8.3372; 14.4037 90; 90; 90 | 2081.5 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513757 | CIF | C23 H18 N2 | P n a 21 | 15.5952; 13.4176; 8.2215 90; 90; 90 | 1720.35 | 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, 2014, 13, 211-223 |
1513774 | CIF | C16 H27 N O2 | P n a 21 | 20.4107; 8.6349; 16.7557 90; 90; 90 | 2953.1 | 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, 2014, 6, 133-140 |
1513805 | CIF | C64 H90 N4 O34 S4 | P n a 21 | 31.15; 16.287; 14.681 90; 90; 90 | 7448 | 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, 2014, 118, 2433-2441 |
1513910 | CIF | C19 H26 Cl N O5 | P n a 21 | 15.833; 10.199; 11.895 90; 90; 90 | 1920.8 | Ghavimi, Bahman; Magnus, Philip Total synthesis of 8,14-dihydromorphinandienone alkaloids. Organic letters, 2014, 16, 1708-1711 |
1514333 | CIF | C24 H25 N3 O2 | P n a 21 | 48.93; 5.783; 7.453 90; 90; 90 | 2108.9 | 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, 2014, 118, 8531 |
1514374 | CIF | C13 H12 N2 O4 Pd | P n a 21 | 10.919; 23.8725; 4.8372 90; 90; 90 | 1260.88 | 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, 2014, 4, 2526 |
1514695 | CIF | C20 H27 N O4 | P n a 21 | 16.349; 11.424; 20.499 90; 90; 90 | 3828.6 | 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, 2013, 4, 2218 |
1514713 | CIF | C16 H11 N O S | P n a 21 | 23.0013; 5.0777; 11.154 90; 90; 90 | 1302.72 | 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, 2013, 4, 2163 |
1514894 | CIF | C76 H68 N2 O2 | P n a 21 | 18.951; 14.595; 20.257 90; 90; 90 | 5603 | 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, 2013, 4, 2414 |
1515129 | CIF | C57.5 H82.5 Li2 N5.5 O0.5 Ti | P n a 21 | 18.4575; 16.9731; 17.726 90; 90; 90 | 5553.22 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
1515182 | CIF | C18 H16 O2 | P n a 21 | 19.372; 5.761; 24.488 90; 90; 90 | 2733 | 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, 2012, 3, 1975 |
1515328 | CIF | C34 H42 Cl2 N2 | P n a 21 | 11.276; 12.1; 20.803 90; 90; 90 | 2838.4 | 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, 2012, 11, 908-913 |
1515495 | CIF | C38 H56 Lu2 N2 | P n a 21 | 21.9504; 8.4448; 18.7468 90; 90; 90 | 3475 | 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, 2011, 2, 1992 |
1515576 | CIF | C21 H22 O2 | P n a 21 | 18.0449; 16.5511; 5.3798 90; 90; 90 | 1606.75 | 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), 2011, 2, 2115-2119 |
1516060 | CIF | C16 H20 N2 O3 | P n a 21 | 40.076; 5.5575; 13.021 90; 90; 90 | 2900.1 | 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, 2012, 14, 4846-4849 |
1516068 | CIF | C19 H26 N2 O | P n a 21 | 13.7232; 14.9269; 7.6655 90; 90; 90 | 1570.24 | 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, 2012, 14, 5621-5623 |
1516116 | CIF | C24 H32 N2 O4 | P n a 21 | 8.6828; 21.4082; 11.2277 90; 90; 90 | 2087.04 | 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, 2014, 77, 1532-1535 |
1516244 | CIF | C29 H28 O Si | P n a 21 | 17.088; 10.053; 13.654 90; 90; 90 | 2345.6 | 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, 2005, 4, 469-480 |
1516415 | CIF | C7 H14 F6 N2 O5 S2 | P n a 21 | 9.657; 11.141; 14.651 90; 90; 90 | 1576 | 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, 2009, 113, 1429-1437 |
1516476 | CIF | C32 H62 Lu2 N2 O2 Si2 | P n a 21 | 19.256; 10.164; 18.218 90; 90; 90 | 3565.6 | 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, 2014, 47, 3567 |
1516557 | CIF | C18 H24 B Mn N2 O2 | P n a 21 | 21.1662; 7.9276; 21.8218 90; 90; 90 | 3661.6 | 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, 2014, 5, 2271 |
1516709 | CIF | C30 H22 O2 | P n a 21 | 7.5251; 13.3225; 21.8161 90; 90; 90 | 2187.1 | 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, 2014, 16, 3592-3595 |
1516711 | CIF | C24 H22 O | P n a 21 | 7.9519; 12.792; 17.476 90; 90; 90 | 1777.7 | 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, 2014, 16, 3576-3579 |
1516839 | CIF | C14 H19 N4 O | P n a 21 | 16.219; 15.484; 5.7192 90; 90; 90 | 1436.3 | 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 |
1516883 | CIF | C14 H13 I O2 | P n a 21 | 6.1079; 7.2239; 28.327 90; 90; 90 | 1249.9 | 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, 2014, 57, 6030-6042 |
1516984 | CIF | C13 H21 Mo N O3 S3 | P n a 21 | 29.541; 8.9741; 12.7826 90; 90; 90 | 3388.7 | 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, 2013, 401, 101-106 |
1517169 | CIF | C7 H9 Cl3 Fe Ga O4 P | P n a 21 | 12.3102; 8.7578; 13.2384 90; 90; 90 | 1427.24 | 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, 2014, 5, 4099 |
1517174 | CIF | C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 | P n a 21 | 28.6201; 15.3682; 7.0307 90; 90; 90 | 3092.4 | 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, 2014, 5, 4099 |
1517358 | CIF | C35 H52 Au F6 N P2 | P n a 21 | 22.231; 12.5844; 12.8929 90; 90; 90 | 3607 | Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W. Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement Chem. Sci., 2014, 5, 4975 |
1517359 | CIF | C20 H35 Cl P2 Pd | P n a 21 | 23.6604; 9.3856; 10.4813 90; 90; 90 | 2327.55 | 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., 2014, 5, 6435 |
1517489 | CIF | C11 H11 N O2 | P n a 21 | 7.2675; 12.9319; 9.6419 90; 90; 90 | 906.17 | 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, 2014, 16, 4718-4721 |
1517564 | CIF | C24 H19 F3 N2 O | P n a 21 | 8.7161; 44.918; 5.2061 90; 90; 90 | 2038.24 | Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones. Organic letters, 2014, 16, 4770-4773 |
1517571 | CIF | C68 H76 Cd2 N8 O8 | P n a 21 | 19.072; 17.965; 19.204 90; 90; 90 | 6580 | 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, 2013, 403, 25-34 |
1517609 | CIF | C13 H10 Cu N2 O8 | P n a 21 | 17.3392; 11.4434; 6.7896 90; 90; 90 | 1347.19 | 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, 2013, 403, 102-109 |
1517721 | CIF | Nb O5 P | P n a 21 | 11.2875; 6.6296; 5.2871 90; 90; 90 | 395.642 | 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, 1992, 607, 113-120 |
1518070 | CIF | Ge2 Na2 Se5 | P n a 21 | 14.095; 6.167; 10.991 90; 90; 90 | 955.4 | Eisenmann, Brigitte; Hansa, Jendy; Schafer, Herbert Na2Ge2Se5, das erste schichtselenidogermanat Revue de Chimie Minerale, 1984, 21, 817-823 |
1518224 | CIF | C6 H8 B F4 Li O6 | P n a 21 | 31.63; 5.1779; 12.978 90; 90; 90 | 2125.5 | 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, 2014, 118, 25884 |
1518246 | CIF | C51 H52 Cl4 F6 N4 O3 P Rh | P n a 21 | 17.7761; 22.9437; 13.1111 90; 90; 90 | 5347.4 | 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., 2015, 6, 1094 |
1518261 | CIF | C18 H16 Br N O2 | P n a 21 | 7.4367; 10.056; 20.4018 90; 90; 90 | 1525.72 | 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, 2014, 16, 6068 |
1518324 | CIF | C32 H32 Mn N6 O4 | P n a 21 | 20.213; 11.155; 13.117 90; 90; 90 | 2958 | 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, 2015, 425, 36-45 |
1518422 | CIF | C23 H28 N2 O4 S | P n a 21 | 26.688; 18.145; 9.062 90; 90; 90 | 4388.3 | 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, 2015, 17, 66-69 |
1518478 | CIF | C22 H35 F6 O6 Pd Sb | P n a 21 | 16.758; 16.947; 9.5046 90; 90; 90 | 2699.3 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
1518488 | CIF | C16 H16 O5 | P n a 21 | 14.969; 7.307; 12.761 90; 90; 90 | 1395.8 | 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, 2015, 17, 218-221 |
1518501 | CIF | C23 H32 N2 Se | P n a 21 | 23.3; 7.0807; 11.6415 90; 90; 90 | 1920.6 | 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., 2015, 6, 1895 |
1518576 | CIF | C25 H21 N5 O4 | P n a 21 | 15.0058; 16.0652; 9.235 90; 90; 90 | 2226.29 | 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, 2015, 17, 438-441 |
1518681 | CIF | C46 H39 B F15 Ni O3 P S | P n a 21 | 24.5629; 15.6599; 11.5597 90; 90; 90 | 4446.47 | Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts Polym. Chem., 2015, 6, 2669 |
1518685 | CIF | C52 H48 N4 O4 | P n a 21 | 18.809; 10.08; 20.725 90; 90; 90 | 3929 | Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior. Organic letters, 2015, 17, 786-789 |
1518786 | CIF | C23 H17 N | P n a 21 | 7.4701; 19.7919; 11.1894 90; 90; 90 | 1654.32 | 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., 2015, 6, 2843 |
1518787 | CIF | C58 H46 F6 Ir N4 O P | P n a 21 | 13.128; 37.8916; 10.29 90; 90; 90 | 5118.7 | 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., 2015, 6, 2843 |
1518997 | CIF | C11 H14 O3 | P n a 21 | 14.5121; 5.9558; 24.1332 90; 90; 90 | 2085.9 | 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, 2015, 17, 1469-1472 |
1519008 | CIF | C17 H16 Cu N2 O2 | P n a 21 | 12.021; 17.918; 6.874 90; 90; 90 | 1480.6 | 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, 1999, 1, 119-131 |
1519085 | CIF | C7 H5 N O3 | P n a 21 | 10.3942; 9.5586; 6.3382 90; 90; 90 | 629.73 | Damsgaard, Anders; Hazell, Rita; Bols, Mikael Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates Acta Chemica Scandinavica, 1999, 53, 521-527 |
1519255 | CIF | Cl H5 O6 | P n a 21 | 7.9054; 10.5443; 5.9511 90; 90; 90 | 496.07 | Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B. ClH5O6 Crystal Structure Report Archive, 2000, 825 |
1519293 | CIF | C15 H19 F O4 | P n a 21 | 10.973; 12.764; 20.721 90; 90; 90 | 2902.2 | 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 |
1519301 | CIF | C8 H12 Cl Cu N4 O4 | P n a 21 | 23.868; 8.339; 20.378 90; 90; 90 | 4055.9 | Fallis, Ian A.; Coles, Simon J.; Hursthouse, Michael B. C8H12ClCuN4O4 Crystal Structure Report Archive, 2001, 1044 |
1519421 | CIF | C8 H8 F N O3 S | P n a 21 | 20.3421; 4.6595; 9.8133 90; 90; 90 | 930.14 | 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., 2015, 6, 3565 |
1519467 | CIF | C14 H22 O6 | P n a 21 | 9.3133; 15.4441; 9.8424 90; 90; 90 | 1415.69 | 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 |
1519608 | CIF | C44 H46 Cl4 N16 Ni2 O21 | P n a 21 | 25.809; 11.899; 17.357 90; 90; 90 | 5330 | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H46Cl4N16Ni2O21 Crystal Structure Report Archive, 2004, 989 |
1519649 | CIF HKL | H2 K2 O12 S2 U | P n a 21 | 13.7778; 7.2709; 11.5488 90; 90; 90 | 1156.92 | 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, 2015, 79, 205-216 |
1519692 | CIF | C25 H23 N5 O3 | P n a 21 | 14.8632; 7.9124; 18.9392 90; 90; 90 | 2227.32 | 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, 2015, 19, 1849 |
1519738 | CIF | C44 H46 Cl4 Co2 N16 O21 | P n a 21 | 25.808; 11.9889; 17.384 90; 90; 90 | 5378.8 | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H46Cl4Co2N16O21 Crystal Structure Report Archive, 2004, 992 |
1519752 | CIF | C21 H12 Br F6 Fe N | P n a 21 | 14.7387; 10.7713; 23.365 90; 90; 90 | 3709.3 | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J. C21H12BrF6FeN Crystal Structure Report Archive, 2005, 1105 |
1519792 | CIF | C9 H10 O3 | P n a 21 | 7.8484; 8.3983; 24.1255 90; 90; 90 | 1590.2 | Huth, Susanne L.; Hursthouse, Michael B. 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol Crystal Structure Report Archive, 2007, 375 |
1519793 | CIF | C9 H10 N2 | P n a 21 | 9.8821; 10.9251; 7.1627 90; 90; 90 | 773.31 | Huth, Susanne L.; Hursthouse, Michael B. 1-Methyl-1H-indole-5-amine Crystal Structure Report Archive, 2007, 376 |
1519823 | CIF | C19 H28 Cl N O2 S | P n a 21 | 15.4076; 12.9924; 9.38 90; 90; 90 | 1877.7 | Fry, F. H.; Male, Louise; Hursthouse, Michael B. C19H28ClNO2S Crystal Structure Report Archive, 2007, 332 |
1519839 | CIF | C3 H6 Cl4 N3 O2 P3 | P n a 21 | 13.3686; 10.4704; 8.7799 90; 90; 90 | 1228.96 | 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 |
1519840 | CIF | C3 H6 Cl4 N3 O2 P3 | P n a 21 | 13.4804; 10.6442; 8.8479 90; 90; 90 | 1269.6 | 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 |
1519921 | CIF | C15 H16 N2 O3 | P n a 21 | 10.0265; 4.5597; 29.0659 90; 90; 90 | 1328.83 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N,N'-bis(3-Methoxyphenyl)urea Crystal Structure Report Archive, 2008, 684 |
1519970 | CIF | C8 H13 N O3 S | P n a 21 | 23.756; 7.1036; 5.6944 90; 90; 90 | 960.95 | Callear, Samantha K.; Hursthouse, Michael B. Methylammonium toluene-4-sulphonate Crystal Structure Report Archive, 2008, 568 |
1519991 | CIF | C9 H10 Cl4 N3 O2 P3 | P n a 21 | 23.2125; 9.1684; 7.6006 90; 90; 90 | 1617.57 | Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C9H10Cl4N3O2P3 Crystal Structure Report Archive, 2008, 486 |
1519993 | CIF | C15 H31 N O4 | P n a 21 | 11.5504; 22.2264; 6.6309 90; 90; 90 | 1702.31 | Callear, Samantha K.; Hursthouse, Michael B. 1,1,3,3-Tetramethylbutylammonium pimelate Crystal Structure Report Archive, 2008, 508 |
1519995 | CIF | C7 H10 N2 O4 | P n a 21 | 11.4966; 18.702; 3.9535 90; 90; 90 | 850 | Callear, Samantha K.; Hursthouse, Michael B. 2-Methylimidazolium malonate Crystal Structure Report Archive, 2008, 515 |
1520178 | CIF | C13 H12 N2 O | P n a 21 | 9.0662; 10.342; 11.738 90; 90; 90 | 1100.59 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N,N'-bis-Phenylurea Crystal Structure Report Archive, 2008, 681 |
1520183 | CIF | C8 H9 N O2 | P n a 21 | 10.5129; 17.0435; 4.0675 90; 90; 90 | 728.8 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-hydroxyphenyl)acetamide Crystal Structure Report Archive, 2008, 1375 |
1520187 | CIF | C8 H9 N O2 | P n a 21 | 10.5957; 7.6655; 9.2544 90; 90; 90 | 751.65 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-methoxyphenyl)formamide Crystal Structure Report Archive, 2008, 540 |
1520188 | CIF | C8 H9 N O2 | P n a 21 | 10.5129; 17.0435; 4.0675 90; 90; 90 | 728.8 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-hydroxyphenyl)acetamide Crystal Structure Report Archive, 2008, 542 |
1520192 | CIF | C10 H16 N2 O4 | P n a 21 | 10.4056; 22.888; 4.6392 90; 90; 90 | 1104.9 | Callear, Samantha K.; Hursthouse, Michael B. 1,2-Dimethylimidazolium glutarate Crystal Structure Report Archive, 2008, 471 |
1520205 | CIF | C22 H28 Cl N O2 S | P n a 21 | 14.7643; 13.349; 10.3953 90; 90; 90 | 2048.8 | Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B. C22H28ClNO2S Crystal Structure Report Archive, 2008, 445 |
1520242 | CIF | C8 H8 Cl N O | P n a 21 | 9.6978; 12.3874; 6.5757 90; 90; 90 | 789.94 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-chlorophenyl)acetamide Crystal Structure Report Archive, 2008, 1387 |
1520261 | CIF | C20 H20 Cl F N4 O3 | P n a 21 | 22.318; 10.108; 9.029 90; 90; 90 | 2036.9 | 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, 2015, 5, 51717-51721 |
1520563 | CIF | C48.75 H55.04 Cl2.25 F3 O12 S | P n a 21 | 35.9931; 12.0648; 11.369 90; 90; 90 | 4937 | 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, 2015, 17, 3260-3263 |
1520604 | CIF | C12 H22 Mo O6 | P n a 21 | 18.676; 6.9445; 11.4529 90; 90; 90 | 1485.4 | Lehtonen, Ari; Sillanpaa, Reijo Dioxomolybdenum(VI) Complexes of Chelating Alkoxides Acta Chemica Scandinavica, 1999, 53, 1078-1082 |
1520684 | CIF | C13 H17 Cl O3 | P n a 21 | 28.508; 5.4891; 8.1976 90; 90; 90 | 1282.79 | Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S. Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols. Organic letters, 2015, 17, 3482-3485 |
1520911 | CIF | Mg N2 Si | P n a 21 | 5.27078; 6.46916; 4.98401 90; 90; 90 | 169.942 | 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, 2000, 61, 1285-1293 |
1521062 | CIF | Mo4 O11 | P n a 21 | 24.47559; 6.7516; 5.4572 90; 90; 90 | 901.799 | Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H. Rietveld refinement of the crystal structure of gamma-(Mo4 O11) Powder Diffraction, 1999, 14, 284-288 |
1521639 | CIF | Gd H6 O15 Re3 | P n a 21 | 14.709; 8.436; 11.461 90; 90; 90 | 1422.14 | 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, 2000, 45, 329-332 |
1521869 | CIF | La O3 Y | P n a 21 | 6.052; 5.936; 8.512 90; 90; 90 | 305.791 | Ruiz-Trejo, E.; Islam, M.S.; Kilner, J.A. Atomistic simulation of defects and ion migration in La Y O3 Solid State Ionics, 1999, 123, 121-129 |
1522133 | CIF | K O4 P Zn | P n a 21 | 8.7305; 9.1651; 5.3539 90; 90; 90 | 428.397 | Wallez, G.; Lucas, F.; Souron, J.P.; Quarton, M. Potassium-zinc monophosphate: an original polymorphic tridymite derivate Materials Research Bulletin, 1999, 34, 1251-1261 |
1523945 | CIF | C24 H40 N4 O4 Si | P n a 21 | 18.1083; 17.6737; 7.671 90; 90; 90 | 2455.03 | 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., 2015, 6, 6297 |
1525606 | CIF | N4 Na2 O8 Pd | P n a 21 | 15.431; 4.606; 11.208 90; 90; 90 | 796.611 | 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), 2001, 42, 145-150 |
1525738 | CIF | Cd0.8 Ge0.87 N1.1 O0.9 | P n a 21 | 5.768; 6.806; 5.396 90; 90; 90 | 211.831 | 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, 2000, 325, 25-30 |
1525850 | CIF | K0.896 Nb0.04 O5 P Ti0.96 | P n a 21 | 12.814; 6.408; 10.587 90; 90; 90 | 869.321 | 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, 2000, 45, 809-813 |
1525932 | CIF | B12 H17 N2 O0.5 | P n a 21 | 22.99; 10.293; 9.323 90; 90; 90 | 2206.16 | 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, 2000, 45, 2016-2019 |
1525975 | CIF | Cl3 H11 N4 O2 Ru | P n a 21 | 13.151; 6.852; 10.361 90; 90; 90 | 933.636 | 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), 2000, 41, 1242-1247 |
1526180 | CIF | Nb0.5 O4 Sb1.5 | P n a 21 | 5.514; 4.8761; 11.7961 90; 90; 90 | 317.16 | 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, 2001, 161, 57-62 |
1526182 | CIF | O4 Sb1.5 Ta0.5 | P n a 21 | 5.5019; 4.8762; 11.8038 90; 90; 90 | 316.677 | 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, 2001, 161, 57-62 |
1526299 | CIF | Al3 D1.18 K Na2 O12.59 Si3 | P n a 21 | 16.29059; 15.0494; 5.17904 90; 90; 90 | 1269.71 | 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, 2000, 37, 153-163 |
1526802 | CIF | Ga Li O2 | P n a 21 | 5.395; 6.367; 5.005 90; 90; 90 | 171.922 | 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.), 2001, 37, 281-285 |
1526804 | CIF | Cr0.1 Ga0.9 Li O1.97 | P n a 21 | 5.3956; 6.3675; 5.0024 90; 90; 90 | 171.865 | 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.), 2001, 37, 281-285 |
1526806 | CIF | Ga0.967 Li O2 V0.033 | P n a 21 | 5.3995; 6.3996; 5.006 90; 90; 90 | 172.981 | 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.), 2001, 37, 281-285 |
1526808 | CIF | Ga0.82 Li O1.94 V0.18 | P n a 21 | 5.395; 6.367; 5.0039 90; 90; 90 | 171.884 | 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.), 2001, 37, 281-285 |
1526819 | CIF | Ga0.5 La4 Nb0.5 O14 Ti3 | P n a 21 | 25.773; 7.832; 5.541 90; 90; 90 | 1118.47 | 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 |
1526821 | CIF | Ga La4 Nb O14 Ti2 | P n a 21 | 25.839; 7.85; 5.5565 90; 90; 90 | 1127.06 | 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 |
1526823 | CIF | La4 Nb0.5 O14 Sc0.5 Ti3 | P n a 21 | 25.891; 7.861; 5.5697 90; 90; 90 | 1133.6 | 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 |
1526825 | CIF | La4 Nb O14 Sc Ti2 | P n a 21 | 26.074; 7.905; 5.594 90; 90; 90 | 1153.01 | 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 |
1526845 | CIF | Al Ge H2 Li O5 | P n a 21 | 10.61; 8.3; 5.097 90; 90; 90 | 448.857 | 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, 2000, 34, 273-279 |
1526938 | CIF | Al2 Ba H4 O6 | P n a 21 | 5.642; 9.887; 10.449 90; 90; 90 | 582.871 | 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, 2001, 161, 243-248 |
1526939 | CIF | K O5 P Sn0.064 Ti0.936 | P n a 21 | 12.831; 6.41; 10.584 90; 90; 90 | 870.499 | 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, 2000, 45, 429-431 |
1527385 | CIF | H3 O3 P | P n a 21 | 7.27; 12.06; 6.85 90; 90; 90 | 600.582 | Furberg, S.; Landmark, P. The crystal structure of phosphorous acid Acta Chemica Scandinavica (1-27,1973-42,1988), 1957, 11, 1505-1511 |
1527509 | CIF | Ce Ni Sn | P n a 21 | 7.542; 7.617; 4.6009 90; 90; 90 | 264.31 | Higashi, I.; Takabatake, T.; Kobayashi, K.; Kasaya, M. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd., 1993, 193, 300-302 |
1527510 | CIF | Ce Pd Sn | P n a 21 | 7.5356; 7.9648; 4.7045 90; 90; 90 | 282.362 | Higashi, I.; Kobayashi, K.; Takabatake, T.; Kasaya, M. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd., 1993, 193, 300-302 |
1527511 | CIF | Ce Pt Sn | P n a 21 | 7.463; 8.0159; 4.6283 90; 90; 90 | 276.877 | Higashi, I.; Kobayashi, K.; Kasaya, M.; Takabatake, T. The crystal structures of Ce T Sn (T= Ni, Pd and Pt) Journal of Alloys Compd., 1993, 193, 300-302 |
1527771 | CIF | Dy H8 O16 Re3 | P n a 21 | 14.61; 8.35; 11.38 90; 90; 90 | 1388.29 | 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)), 1977, 3, 1014-1019 |
1527793 | CIF | C2 Cs2 Mo O4 S5 | P n a 21 | 11.831; 11.406; 9.167 90; 90; 90 | 1237.04 | Mennemann, K.; Mattes, R. Ein monothiooxalato-O,S-Komplex des Molybdaens mit zwei (S2)(2-)-Liganden Angewandte Chemie (German Edition), 1977, 89, 269-270 |
1527891 | CIF | H2 Hg I3 K O | P n a 21 | 8.6252; 9.3445; 11.5008 90; 90; 90 | 926.944 | 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), 1971, 25, 1615-1629 |
1528058 | CIF | Fe P | P n a 21 | 5.193; 5.792; 3.099 90; 90; 90 | 93.211 | Selte, K.; Kjekshus, A. Structural and magnetic properties of Fe P Acta Chemica Scandinavica (1-27,1973-42,1988), 1972, 26, 1276-1277 |
1528105 | CIF | Ba2 S4 Sn | P n a 21 | 17.823; 7.359; 12.613 90; 90; 90 | 1654.31 | 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, 1971, 3, 75-82 |
1528213 | CIF | Ge N2 Zn | P n a 21 | 5.454; 6.441; 5.194 90; 90; 90 | 182.461 | Wintenberger, M.; Laurent, Y.; Maunaye, M. Groupe spatial et ordre des atomes de zinc et de germanium dans Zn Ge N2 Materials Research Bulletin, 1973, 8, 1049-1054 |
1528341 | CIF | C H3 Co O4 P | P n a 21 | 17.413; 4.7856; 5.6638 90; 90; 90 | 471.974 | 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, 2006, 179, 389-397 |
1528498 | CIF | C24 H48 Cl4 Mo2 N12 P4 | P n a 21 | 24.082; 12.7912; 11.9559 90; 90; 90 | 3682.87 | 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, 2006, 359, 283-288 |
1528537 | CIF | O7 P2 Sr2 | P n a 21 | 8.87; 13.27; 5.39 90; 90; 90 | 634.429 | 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), 1967, 90, 285-292 |
1528541 | CIF | O5 Te Tl V | P n a 21 | 7.313; 8.747; 7.887 90; 90; 90 | 504.506 | Grzechnik, A.; Halasyamani, P.S.; Friese, K.; Chang Hongyoung Twinned crystal structure and compressibility of Tl Te V O4 Journal of Solid State Chemistry, 2009, 182, 1570-1574 |
1528835 | CIF | N6 Pb | P n a 21 | 6.65; 11.37; 16.32 90; 90; 90 | 1233.96 | Saha, P. The Crystal Structure of alpha-Lead Azide, alpha-Pb (N3)2 Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science, 1965, 39, 494-497 |
1529250 | CIF | C16 H16 Cl N O2 | P n a 21 | 7.9657; 14.5166; 12.0126 90; 90; 90 | 1389.08 | Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones. Organic letters, 2015, 17, 3860-3863 |
1529282 | CIF | C17 H13 Br O2 | P n a 21 | 29.2958; 6.1415; 15.5413 90; 90; 90 | 2796.2 | Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones. Organic letters, 2015, 17, 3846-3849 |
1529392 | CIF | C32 H36 N2 O2 | P n a 21 | 30.3531; 5.0918; 16.0639 90; 90; 90 | 2482.71 | Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H. Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly Polym. Chem., 2015, 6, 6792 |
1529585 | CIF | Be Fe3 H2 O11 Si3 | P n a 21 | 9.49; 12.23; 7.1 90; 90; 90 | 824.045 | Bakakin, V.V.; Solov'eva, L.P. The crystal structure of Fe3 Be Si3 O9 (F, O H)2 the example of the wollastonitelike silicate chain on the basis of Fe Kristallografiya, 1970, 15, 1144-1151 |
1529643 | CIF | F5 K2 Sm | P n a 21 | 10.8; 6.62; 7.51 90; 90; 90 | 536.935 | Bochkova, R.I.; Belov, N.V.; Saf'yanov, Yu.N.; Kuz'min, E.A. The interpretation of the crystal structure of K2 Sm F5 by the rhombpeak method Doklady Akademii Nauk SSSR, 1973, 212, 357-359 |
1529762 | CIF | Na Nd O4 Si | P n a 21 | 20; 9.28; 5.45 90; 90; 90 | 1011.52 | Chichagov, A.V.; Belov, N.V. The crystal structure of Na Nd Si O4 Geokhimiya, 1968, 1968, 1456-1461 |
1529776 | CIF | S9 Sb4 Sr3 | P n a 21 | 16.579; 24; 4.09 90; 90; 90 | 1627.4 | Cordier, G.; Schwidetzky, C.; Schaefer, H. Sb S3-Tetraederketten und Sb S5-Oktaederketten im Sr3 Sb4 S9 Revue de Chimie Minerale, 1982, 19, 179-186 |
1529780 | CIF | I Li O3 | P n a 21 | 9.4039; 5.8539; 5.2915 90; 90; 90 | 291.294 | Crettez, J.M.; Coquet, E.; Pannetier, J.; Bouillot, J.; Durand-Le Floch, M. Neutron structure refinement of gamma- and beta-lithium: Comparison between alpha, gamma, and beta phases Journal of Solid State Chemistry, 1985, 56, 133-147 |
1529852 | CIF | C43 H37 Br2 Cl Cu N3 O4 P2 | P n a 21 | 19.3661; 14.8237; 28.5913 90; 90; 90 | 8207.9 | Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst. Organic letters, 2015, 17, 3814-3817 |
1529900 | CIF | Li O4 P Pb | P n a 21 | 7.969; 18.591; 4.926 90; 90; 90 | 729.795 | Elammari, L.; Elouadi, B.; Depmeier, W. Crystal structure of Li Pb P O4 with "Li4 O13" cluster Journal of Solid State Chemistry, 1988, 76, 266-269 |
1530018 | CIF | C Bi2 O5 | P n a 21 | 5.468; 27.32; 5.468 90; 90; 90 | 816.841 | Greaves, C.; Blower, S.K. Structural relationships between Bi2 O2 C O3 and beta-Bi2 O3 Materials Research Bulletin, 1988, 23, 1001-1008 |
1530065 | CIF | H8 N2 O4 S | P n a 21 | 7.924; 10.526; 5.953 90; 90; 90 | 496.528 | Hasebe, K. Studies of the crystal structure of ammonium sulfate in connection with its ferroelectric phase transition Journal of the Physical Society of Japan, 1981, 50, 1266-1274 |
1530241 | CIF | C8 H4 K4 N8 Nb O2 | P n a 21 | 16.899; 8.821; 11.754 90; 90; 90 | 1752.12 | Laing, M.; Kiernan, P.M.; Gafner, G.; Griffith, W.P. The X-Ray crystal structure of an eight co-ordinate cyanide complex of niobium, K4 Nb (C N)8 (H2 O)2 Inorganica Chimica Acta, 1979, 33, 119-119 |
1530299 | CIF | Na2 O9 P2 U | P n a 21 | 13.259; 8.127; 6.973 90; 90; 90 | 751.382 | Linde, S.A.; Gorbunova, Yu.E.; Pobedina, A.B.; Lavrov, A.V. The synthesis and structure of crystals of sodium uranyl pyrophosphate Na2 U O2 P2 O7 Zhurnal Neorganicheskoi Khimii, 1984, 29, 1533-1537 |
1530305 | CIF | K Ni O4 P | P n a 21 | 8.64; 9.28; 4.93 90; 90; 90 | 395.283 | Ljutin, V.I.; Ilyukhin, V.V.; Tutov, A.G.; Belov, N.B. Crystal structure of antiferromagnetic K, Ni-phosphate K Ni P O4 Doklady Akademii Nauk SSSR, 1973, 208, 346-349 |
1530343 | CIF | Na4 O13 Sc2 Si4 | P n a 21 | 14.442; 5.288; 14.219 90; 90; 90 | 1085.9 | Maksimov, B.A.; Belov, N.V.; Mel'nikov, O.K.; Zhdanova, T.A.; Ilyukhin, V.V. Crystal structure of Na4 Sc2 Si4 O13 Doklady Akademii Nauk SSSR, 1980, 251, 98-102 |
1530418 | CIF | Cs H O3 Se | P n a 21 | 6.431; 14.031; 4.82 90; 90; 90 | 434.925 | Micka, Z.; Danek, M.; Podlahova, J.; Loub, J.; Strauch, B.; Hasek, J. Molecular spectra and X-ray study of the alkali hydrogen selenites M H Se O3 Journal of Solid State Chemistry, 1988, 77, 306-315 |
1530527 | CIF | B3 H8 K3 O10 | P n a 21 | 7.81; 13.71; 8.8 90; 90; 90 | 942.261 | Ozols, J. Crystal structure of potassium triborate K3 (B3 O4 (O H)4 ) * (H2 O)2 = 3 K B O2 (H2 O)1.33 Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija, 1977, 1977, 356-357 |
1530606 | CIF | Nb O4 Sb | P n a 21 | 5.557; 4.932; 11.795 90; 90; 90 | 323.267 | Ponomarev, V.I.; Filipenko, O.S.; Venevtsev, Yu.N.; Ivanov, S.A.; Atovmyan, L.O.; Rannev, N.V. Structure and lattice dynamics of Sb Nb O4 crystals at 300-1000 K Kristallografiya, 1981, 26, 341-348 |
1530627 | CIF | Cl3.33333 K2 Zn | P n a 21 | 26.74; 12.399; 7.252 90; 90; 90 | 2404.4 | Quilichini, M.; Schweiss, P.; Heger, G. Neutron structural study of the ferroelectric phase of K2 Zn Cl4 Ferroelectrics, 1988, 79, 117-120 |
1530798 | CIF | H20.68 K1.33 N7.67 O16 P6 Pr | P n a 21 | 25.623; 10.577; 8.632 90; 90; 90 | 2339.4 | Sokol, V.I.; Porai-Koshits, M.A.; Butman, L.A.; Rozanov, I.A.; Berdnikov, V.R. Crystal structure of potassium ammonium bis(trimetaphosphimato)- praseodymate, K1.3 (N H4)1.7 (Pr ((P O2 N H)3)2) (H2 O)8 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1093-1102 |
1530815 | CIF | H24 N11 O16 Rh2 | P n a 21 | 14.997; 11.952; 10.489 90; 90; 90 | 1880.09 | Springborg, J.; Zehnder, M. Synthesis and crystal structure of a peroxo-bridged binuclear Rhodium(III) complex and its superoxo-bridged analogue Helvetica Chimica Acta, 1984, 67, 2218-2225 |
1530973 | CIF | O5 P W | P n a 21 | 11.174; 6.55; 5.228 90; 90; 90 | 382.636 | Wang, S.-L.; Wang, C.-C.; Lii, K.-H. Crystal Structure of W P O5, the Second Member of the Monophosphate Tungsten Bronze Series (W O3)2m (P O2)4 Journal of Solid State Chemistry, 1989, 82, 298-302 |
1531000 | CIF | Mn N2 Si | P n a 21 | 5.248; 6.511; 5.07 90; 90; 90 | 173.241 | Wintenberger, M.; Marchand, R.; Maunaye, M. Etude cristallographique et magnetique de Mn Si N2 par diffraction des neutrons Solid State Communications, 1977, 21, 733-735 |
1531005 | CIF | K2 O4 Se | P n a 21 | 22.716; 10.339; 5.967 90; 90; 90 | 1401.41 | Yamada, N.; Ono, Y.; Ikeda, T. A Structural Study of the Incommensurate-to-Ferroelectric Phase Transition in K2 Se O4 Journal of the Physical Society of Japan, 1984, 53, 2565-2574 |
1531042 | CIF | C15 H22 N O4 V | P n a 21 | 14.7897; 13.1867; 7.8841 90; 90; 90 | 1537.62 | Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes Chem. Sci., 2015, 6, 7130 |
1531265 | CIF | Er0.017 Nb0.056 O5 P Rb Ti0.927 | P n a 21 | 12.9716; 6.5069; 10.574 90; 90; 90 | 892.497 | Carvajal, J.J.; Aguilo, M.; Garcia-Munoz, J.L.; Sole, R.; Gavalda, J.; Massons, J.; Diaz, F. Selective dstribution of dopants among M O6 octahedra in Rb Ti0.927 Nb0.056 Er0.017 O P O4 : a neutron diffraction study Journal of Solid State Chemistry, 2003, 171, 257-261 |
1531577 | CIF | Cl5 Co H15 N5 Pd | P n a 21 | 16.344; 9.424; 7.968 90; 90; 90 | 1227.28 | Koz'min, P.A.; Surazhskaya, M.D.; Bol'shakova, M.D.; Bol'shakov, A.M. Structure of pentaamminechlorocobalt(III) tetrachloropalladate(II) (Co (N H3)5 Cl) (Pd Cl4) Zhurnal Neorganicheskoi Khimii, 2001, 46, 1639-1641 |
1531588 | CIF | Ga Li S2 | P n a 21 | 6.5133; 7.8629; 6.2175 90; 90; 90 | 318.419 | Isaenko, L.; Yelisseyev, A.; Lobanov, S.; Titov, A.; Petrov, V.; Smirnova, J.; Vedenyapin, V.; Merkulov, A.; Zondy, J.J.; Krinitsin, P. Growth and properties of Li Ga X2 (X = S, Se, Te) single crystals for nonlinear optical applications in the mid-IR Crystal Research and Technology, 2003, 38, 379-387 |
1531591 | CIF | Ga Li Se2 | P n a 21 | 6.832; 8.237; 6.535 90; 90; 90 | 367.758 | Isaenko, L.; Yelisseyev, A.; Smirnova, J.; Petrov, V.; Titov, A.; Lobanov, S.; Zondy, J.J.; Vedenyapin, V.; Merkulov, A.; Krinitsin, P. Growth and properties of Li Ga X2 (X = S, Se, Te) single crystals for nonlinear optical applications in the mid-IR Crystal Research and Technology, 2003, 38, 379-387 |
1531797 | CIF | Ca Ga La O4 | P n a 21 | 11.8083; 5.3529; 6.8603 90; 90; 90 | 433.63 | Li, Z.-F.; Li, G.-B.; Lin, J.-H.; Liao, F.-H. On the synthesis and structure of La Ca Ga O4 Journal of Solid State Chemistry, 2003, 172, 59-65 |
1531887 | CIF | Cs2 H4 O12 Se2 U | P n a 21 | 14.367; 11.682; 7.826 90; 90; 90 | 1313.48 | Mikhailov, Yu.N.; Gorbunova, Yu.E.; Shishkina, O.V.; Serezhkin, V.N.; Serezhkina, L.B. Crystal structure of Cs2 ((U O2 (Se O4)2) * (H2 O)) * (H2 O) Zhurnal Neorganicheskoi Khimii, 2001, 46, 1828-1832 |
1532252 | CIF | Fe0.5 La4 Nb0.5 O14 Ti3 | P n a 21 | 25.772; 7.834; 5.545 90; 90; 90 | 1119.52 | Titov, Yu.O.; Sych, A.M.; Belyavina, N.M.; Kapshuk, A.O.; Markiv, V.Ya. Localization of heteroatoms Fe and Nb in the layered structure of ferroelectric La4 Ti4 O14 Dopov. Nats. Akad. Nauk. Ukr., 2002, 2002, 162-166 |
1532414 | CIF | D Nd Ni Sn | P n a 21 | 7.21707; 8.39695; 4.35618 90; 90; 90 | 263.991 | Yartys', V.A.; Olavesen, T.; Hauback, B.C.; Fjellvag, H. Orthorhombic Nd Ni Sn D with filled (Ti Ni Si)-type structure Journal of Alloys Compd., 2002, 336, 181-186 |
1532447 | CIF | Nb0.67 O4 Sb Ta0.33 | P n a 21 | 5.557; 4.932; 11.808 90; 90; 90 | 323.623 | Zubkova, N.V.; Tillmanns, E.; Pushcharovskii, D.Yu.; Giester, G.; Smolin, A.S.; Kashaev, A.A.; Peretyazhko, I.S.; Brandstaetter, F.; Sapozhnikov, A.N.; Hammer, V. Bismutocolumbite, Bi (Nb0.79 Ta0.21) O4, stibiocolumbite, Sb (Nb0.67 Ta0.33) O4 and their structural relation to the other A B O4 minerals with stibiotantalite (Sb Ta O4) structure Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 2002, 2002, 145-159 |
1532572 | CIF | Bi Cl O3 Se | P n a 21 | 11.707; 7.047; 5.315 90; 90; 90 | 438.483 | Ibragimov, S.A.; Berdonosov, P.S.; Dolgikh, V.A.; Huong, D.Q.; Oppermann, H. Crystal structure and SHG characterization of gamma-(Bi Se O3 Cl) Neorganicheskie Materialy, 2002, 38, 1514-1519 |
1532954 | CIF | H6 O15 Re3 Sm | P n a 21 | 14.776; 8.468; 11.505 90; 90; 90 | 1439.54 | Mujica, C.; Cardoso-Gil, R.; Sanchez, V.; Llanos, J.; Schnelle, W. Crystal structure and thermal stability of Sm (Re O4)3 (H2 O)3 Journal of Alloys Compd., 2004, 364, 89-92 |
1532993 | CIF | Cr0.019 K0.981 O5 P Ti | P n a 21 | 12.878; 6.406; 10.641 90; 90; 90 | 877.845 | Kannan, C.V.; Righi, L.; Ganesamoorthy, S.; Ramasamy, P.; Bocelli, G. Growth, structural and optical studies of chromium doped K Ti O P O4 single crystals Journal of Crystal Growth, 2003, 252, 328-332 |
1533267 | CIF | Ce D Ni Sn | P n a 21 | 7.238; 8.446; 4.398 90; 90; 90 | 268.859 | Yartys', V.A.; Ouladdiaf, B.; Isnard, O.; Khyzhun, O.Yu.; Buschow, K.H.J. Hydrogen induced antiferromagnetism in the Kondo semimetal Ce Ni Sn Journal of Alloys Compd., 2003, 359, 62-65 |
1533304 | CIF | Cl H4 N O4 | P n a 21 | 9.22; 7.458; 5.814 90; 90; 90 | 399.787 | Zhang Jianguo; Zhang Tonglai; Yang Li A study of crystal structure and explosive properties of ammonium perchlorate Huozhayao Xuebao, 2002, 25, 33-34 |
1533305 | CIF | Al Li O4 Si | P n a 21 | 9.938; 6.569; 4.948 90; 90; 90 | 323.019 | Ceriani, C.; Fois, E.; Gamba, A. The role of extra-framework cations on the structure of dehydrated Li-ABW. A computer simulation study Microporous and Mesoporous Materials, 2003, 57, 73-81 |
1533378 | CIF | H Na O5 Si2 | P n a 21 | 27.32; 15.4; 8.241 90; 90; 90 | 3467.22 | Sassi, M.; Gramlich, V.; Josien, L.; Miehe-Brendle, J.; Paillaud, J.-L.; Benggedach, A.; Patarin, J. Synthesis and characterization of a new one-dimensional sodium silicate named Mu-29 Microporous and Mesoporous Materials, 2003, 64, 51-61 |
1533454 | CIF | Ag2 Ge3 H2 K4 O S9 | P n a 21 | 12.4524; 9.6339; 16.5636 90; 90; 90 | 1987.06 | An Yonglin; Menghe Baiyin; Ye Ling; Ji Min; Jia Cuiying; Liu Xin A solvothermal synthesis and characterization of a new open-framework K4 Ag2 Ge3 Se9 * (H2 O) Journal of Solid State Chemistry, 2004, 177, 2506-2510 |
1533700 | CIF | C2 H28 N6 O21 P4 V3 | P n a 21 | 19.0766; 9.1657; 14.1806 90; 90; 90 | 2479.48 | Harrison, W.T.A. (C N3 H6)2 * (V O)3 (H2 O)3 (H P O3)4 * 3(H2 O), a guanidinium vanadium phosphite hydrate based on a (3,4) connected net: an "orthogonal templating" effect? Solid State Sciences, 2003, 5, 297-302 |
1534147 | CIF | K0.89 Nb0.11 O5 P Ti0.89 | P n a 21 | 12.815; 6.415; 10.591 90; 90; 90 | 870.667 | Alekseeva, O.A.; Sorokina, N.I.; Verin, I.A.; Yanovskii, V.K.; Lozevskaya, T.Yu.; Voronkova, V.I.; Simonov, V.I. Structure and properties of potassium titanyl phosphate single crystals with 7 and 11 at.% Nb Kristallografiya, 2003, 48, 238-245 |
1534502 | CIF | F6 K Na Sn | P n a 21 | 11.8; 6; 8.125 90; 90; 90 | 575.25 | Gerasimenko, A.V.; Sergienko, V.I.; Ivanov, S.B.; Antokhina, T.F. Crystal structure of NaKSnF6 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1992, 18, 129-132 |
1534588 | CIF | I Li O3 | P n a 21 | 9.422; 5.861; 5.301 90; 90; 90 | 292.734 | Liminga, R.; Svensson, C.; Albertsson, J.; Abrahams, S.C. gamma-lithium iodate at 515 K and the alpha-Li I O3 to gamma-Li I O3, gamma-Li I O3 to beta-Li I O3 phase transitions Journal of Chemical Physics, 1982, 77, 4222-4226 |
1534596 | CIF | Cl8 Ga2 Sb8 | P n a 21 | 17.549; 9.9173; 12.858 90; 90; 90 | 2237.79 | Lindsjoe, M.; Fischer, A.; Kloo, L. Sb8 (Ga Cl4)2: Isolation of a homopolyatomic antimony cation Angew. Chem. Int. ed., 2004, 43, 2540-2543 |
1534821 | CIF | B3 Li O5 | P n a 21 | 8.746; 7.48; 5.013 90; 90; 90 | 327.951 | Shepelev, Yu.F.; Filatov, S.K.; Bubnova, R.S.; Sennova, N.A.; Pilneva, N.A. Li B3 O5 crystal structure at 20, 227, and 377 degree C Journal of Solid State Chemistry, 2005, 178, 2987-2997 |
1534938 | CIF | C H11 B12 Cs2 N S | P n a 21 | 9.605; 10.183; 14.393 90; 90; 90 | 1407.75 | Sivaev, I.B.; Katser, S.B.; Solntsev, K.A.; Kuznetsov, N.T. Some features of (B12 H11 S C N)2- anion. Crystal structure of cesium (thiocyanato)undecahydro(Ih-(1551)-delta20-closo)-dodeca borate Cs2 (B12 H11 S C N) Zhurnal Neorganicheskoi Khimii, 1995, 40, 807-810 |
1534976 | CIF | Ba H4 N2 O6 S2 | P n a 21 | 10.579; 13.416; 4.829 90; 90; 90 | 685.37 | Manickkavachagam, R.; Chandrasekaran, K. S.; Rajaram, R. K. Crystal Structure of Barium Sulphamate Current Science, 1983, 52, 420-421 |
1535069 | CIF | Ge K O5 Sb | P n a 21 | 13.224; 6.597; 10.759 90; 90; 90 | 938.601 | Belokoneva, E.L.; Mill', B.V.; Butashin, A.V. Synthesis of germanates and silicates with the structure K Ti O P O4 and crystalline structure of K Sb O Ge O4 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1991, 27, 1708-1713 |
1535087 | CIF | Ge0.063 K O5 P Ti0.937 | P n a 21 | 12.7633; 6.3992; 10.4988 90; 90; 90 | 857.489 | Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K. Crystal structure and electrophysical characteristics of K Ge0.06 Ti0.94 O P O4 single crystals Kristallografiya, 1995, 40, 688-691 |
1535091 | CIF | Ge0.042 K O5 P Ti0.958 | P n a 21 | 12.7788; 6.4002; 10.5268 90; 90; 90 | 860.954 | Sorokina, N.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.; Simonov, V.I. Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system. Kristallografiya, 1996, 41, 457-460 |
1535095 | CIF | Ge0.184 K O5 P Ti0.816 | P n a 21 | 12.7252; 6.3944; 10.4212 90; 90; 90 | 847.973 | Sorokina, N.I.; Voronkova, V.I.; Simonov, V.I.; Yanovskii, V.K.; Verin, I.A. Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system. Kristallografiya, 1996, 41, 457-460 |
1535096 | CIF | Ge K O5 Ta | P n a 21 | 13.386; 6.658; 10.997 90; 90; 90 | 980.096 | Belokoneva, E.L.; Mill', B.V. Crystal structures of K Ta O Ge O4 and Rb Sb O Ge O4. Zhurnal Neorganicheskoi Khimii, 1992, 37, 998-1003 |
1535099 | CIF | Ge O5 Rb Sb | P n a 21 | 13.382; 6.708; 10.746 90; 90; 90 | 964.63 | Belokoneva, E.L.; Mill', B.V. Crystal structures of K Ta O Ge O4 and Rb Sb O Ge O4. Zhurnal Neorganicheskoi Khimii, 1992, 37, 998-1003 |
1535112 | CIF | Ge O5 Sb Tl | P n a 21 | 13.358; 6.664; 10.762 90; 90; 90 | 958.009 | Belokoneva, E.L.; Dolgushin, F.M.; Antipin, M.Yu.; Mill', B.V.; Struchkov, Yu.T. Study of phase transition in Tl Sb O Ge O4 crystals in the temperature range 123-293 K Zhurnal Neorganicheskoi Khimii, 1993, 38, 631-636 |
1535120 | CIF | Ge Na O5 Sb | P n a 21 | 13.008; 6.433; 10.736 90; 90; 90 | 898.393 | 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, 1994, 39, 355-362 |
1535222 | CIF | C Br5 K2 O Os | P n a 21 | 14.294; 7.304; 10.677 90; 90; 90 | 1114.71 | Berngardt, E.A.; Buslaev, Yu.A.; Gorbunova, Yu.E.; Mikhailov, Yu.N.; Kanishcheva, A.S.; Sinitsyn, N.M. Synthesis and crystal structure of potassium monocarbonylpentabromoosmate K2 (Os C O Br5) Zhurnal Neorganicheskoi Khimii, 1995, 40, 92-93 |
1535523 | CIF | Cu Hg I S | P n a 21 | 7.1748; 8.3356; 6.9855 90; 90; 90 | 417.777 | Moro'oka, M.; Ohki, H.; Yamada, K.; Okuda, T. The crystal structure, phase transition and electric conductivity of new quaternary chalcogenide halide Cu Hg S I Journal of Solid State Chemistry, 2004, 177, 1401-1404 |
1535609 | CIF | F H3 O4 P Rb | P n a 21 | 9.055; 4.635; 11.908 90; 90; 90 | 499.778 | Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E. Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1687-1692 |
1535667 | CIF | Ga Na O2 | P n a 21 | 5.498; 7.206; 5.298 90; 90; 90 | 209.899 | Mueller, H.; Hoppe, R. Zur Kristallstruktur von KGaO2 und NaGaO2(II) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 611, 73-80 |
1535729 | CIF | Li O4 P Pb | P n a 21 | 7.982; 18.626; 4.938 90; 90; 90 | 734.146 | Trunov, V.K.; Makarevich, L.G.; Oboznenko, Yu.V.; Tskhelashvili, N.B.; Sirotkin, S.P. Crystal structure of Li Pb P O4 Kristallografiya, 1990, 35, 205-208 |
1535781 | CIF | Ca0.603333 O4 Si Sr1.39667 | P n a 21 | 20.863; 9.5; 5.6005 90; 90; 90 | 1110.01 | Il'inets, A.M.; Bikbau, M.Ya. Structural mechanism of polymorphic transformations of dicalcium silicate-Ca2SiO4.Part II. Refinement of crystal structure of high-temperature alpha'modification of dicalcium silicate Ca2SiO4. Kristallografiya, 1990, 35, 91-93 |
1535872 | CIF | Dy K O8 Se2 | P n a 21 | 27.47; 5.657; 8.989 90; 90; 90 | 1396.87 | Ishakova, L.D.; Trunov, V.K.; Ovanisyan, S.M. Crystal structure of K Dy (Se O4)2 Kristallografiya, 1990, 35, 1099-1104 |
1535904 | CIF | Be N2 Si | P n a 21 | 4.977; 5.747; 4.674 90; 90; 90 | 133.69 | Eckerlin, P. Die Kristallstruktur von Be Si N2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1967, 353, 225-235 |
1536119 | CIF | Cl2.556 H4.5 Li5.88 N22 O2 P12 | P n a 21 | 4.753; 14.208; 8.203 90; 90; 90 | 553.954 | Correll, S.; Oeckler, O.; Stock, N.; Schnick, W. Li(x) H(12-x-y+z) (P12 O(y) N(24-y)) Cl(z) - An oxonitridophosphate with a zeolitelike framework structure composed of 3-rings Angewandte Chemie (Edition international), 2003, 42, 3549-3552 |
1536128 | CIF | Ge K O5 P | P n a 21 | 12.6013; 6.3051; 10.0031 90; 90; 90 | 794.771 | Voronkova, V.I.; Yanovskii, V.K.; Sorokina, N.I.; Verin, I.A.; Simonov, V.I. Ferroelectric phase transition and crystal structure of KGeOPO4 Kristallografiya, 1993, 38, 147-151 |
1536133 | CIF | K0.59 O5 P Ti Tl0.41 | P n a 21 | 12.879; 6.434; 10.588 90; 90; 90 | 877.359 | Voronkova, V.I.; Sorokina, N.I.; Li, D.Y.; Yanovskii, V.K.; Simonov, V.I.; Furmanova, N.G.; Verin, I.A. Atomic structure and electrophysical characteristics of K0.59Tl0.41TiOPO4 single crystals Kristallografiya, 1994, 39, 430-433 |
1536144 | CIF | Cl3.68 H9.2 Li6.48 N24 P12 | P n a 21 | 4.766; 14.263; 8.235 90; 90; 90 | 559.794 | Correll, S.; Stock, N.; Schnick, W.; Nilges, T.; Oeckler, O.; Senker, J. Li(x) H(12-x-y+z) (P12 O(y) N(24-y))X(z) (X = Cl, Br) - Oxonitridophosphate mit NPO-Zeolithstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2205-2217 |
1536369 | CIF | Hg2 O5 Te | P n a 21 | 7.3462; 5.8635; 9.969 90; 90; 90 | 429.409 | Weil, M. Preparation, Thermal Behaviour and Crystal Structure of the Basic Mercury(II) Tetraoxotellurate(VI), Hg2TeO5, and Redetermination of the Crystal Structure of Mercury(II) Orthotellurate(VI), Hg3TeO6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 653-657 |
1536446 | CIF | Cu Hg I S | P n a 21 | 7.183; 8.343; 6.989 90; 90; 90 | 418.835 | Keller, H.L.; Wimbert, L. Ueber Muenzmetall - Quecksilber - Chalkogenidhalogenide. IV. Hydrothermalsynthese und Kristallstruktur von Cu Hg S I und Cu Hg2 S2 I Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 331-336 |
1536652 | CIF | Cl Co H15 N7 O5 | P n a 21 | 14.828; 9.599; 7.289 90; 90; 90 | 1037.47 | Podberezskaya, N.V.; Virovets, A.V.; Boldyreva, E.V. Comparative study of crystal structures in (M (N H3)5 N O2) X Y and(M (N H3)5 O N O) X Y series. Crystal structure of (Co (N H3)5 N O2) Cl * (N O3) Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1991, 32, 89-95 |
1536697 | CIF | H22 Na3 O12 P S3 | P n a 21 | 12.621; 9.477; 14.3122 90; 90; 90 | 1711.87 | Pompetzki, M.; Jansen, M. Crystal structures of Na3 P O2 S2 * 11(H2 O) and Na3 P O S3 * 11(H2 O) Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 2002, 133, 975-986 |
1536754 | CIF | Cs Mn O4 P | P n a 21 | 9.128; 9.575; 5.595 90; 90; 90 | 489.006 | Yakubovich, O.V.; Simonov, M.A.; Mel'nikov, O.K. Crystal structure of CsMnPO4 Kristallografiya, 1990, 35, 42-46 |
1537257 | CIF | C Br2 Se4 | P n a 21 | 21.169; 4.176; 8.496 90; 90; 90 | 751.061 | Larsen, S.; Henriksen, L. 1,2,3-triselenetan-4-(Se,Se-dibromoselone); C Br2 Se4, crystal structure and mechanism of formation Acta Chemica Scandinavica, Series A: (28,1974-), 1984, 38, 289-296 |
1537521 | CIF | C6 H24 Cl5 Cu N3 | P n a 21 | 11.338; 9.981; 15.675 90; 90; 90 | 1773.85 | Kirpichnikova, L.F.; Pietraszko, A.; Bednarski, W.; Sheleg, A.U.; Waplak, S. Crystal structure and phase transitions in the new crystals of ((C H3)2 N H2)2 Cu Cl4 ((C H3)2 N H2) Cl Kristallografiya, 2004, 49, 92-100 |
1537557 | CIF | K O5 P Sn0.53 Ti0.47 | P n a 21 | 12.993; 6.471; 10.661 90; 90; 90 | 896.352 | Krotova, O.D.; Sorokina, N.I.; Verin, I.A.; Voronkova, V.I.; Yanovskii, V.K.; Simonov, V.I. Structure and properties of single crystals of tin-doped potassium titanyl phosphate Kristallografiya, 2003, 48, 992-999 |
1537558 | CIF | K O5 P Sn0.75 Ti0.25 | P n a 21 | 13.076; 6.504; 10.69 90; 90; 90 | 909.145 | Krotova, O.D.; Sorokina, N.I.; Verin, I.A.; Voronkova, V.I.; Yanovskii, V.K.; Simonov, V.I. Structure and properties of single crystals of tin-doped potassium titanyl phosphate Kristallografiya, 2003, 48, 992-999 |
1539599 | CIF | Cu2 O5 Y2 | P n a 21 | 10.805; 3.4955; 12.4605 90; 90; 90 | 470.619 | Aride, J.; Flandrois, S. New investigations on magnetic and neutron diffraction properties of Y2Cu2 O5 and related oxides Solid State Communications, 1989, 72, 459-463 |
1539607 | CIF | Mo4 O11 | P n a 21 | 24.49; 6.752; 5.457 90; 90; 90 | 902.35 | Asbrink, S.; Kihlborg, L. A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1571-1573 |
1539958 | CIF | Cr O4 Sr2 | P n a 21 | 14.182; 5.788; 10.1 90; 90; 90 | 829.063 | Wilhelmi, K.A. The crystal structure of strontium chromate(IV), Sr2 Cr O4 Arkiv foer Kemi, 1967, 26, 157-165 |
1540330 | CIF | Al O4 Si Tl1.1 | P n a 21 | 8.297; 9.417; 5.413 90; 90; 90 | 422.933 | Krogh Andersen, I.G.; Krogh Andersen, E.; Norby, P.; Colella, C.; de'Gennaro, M. Synthesis and structure of an ABW type thallium alumosilicate Zeolites, 1991, 11, 149-154 |
1540601 | CIF | C20 H21 N O2 | P n a 21 | 7.5747; 10.8659; 20.7341 90; 90; 90 | 1706.54 | Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K. Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade. Organic letters, 2015, 17, 5650-5653 |
1540651 | CIF | C11 H24 Br2 Fe N4 | P n a 21 | 16.3535; 12.5257; 7.6117 90; 90; 90 | 1559.2 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540735 | CIF | C14 H12 N2 O4 | P n a 21 | 10.2721; 12.99; 9.383 90; 90; 90 | 1252 | Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant Industrial & Engineering Chemistry Research, 2016, 55, 4170 |
1540872 | CIF | Li P5 | P n a 21 | 10.439; 6.584; 6.545 90; 90; 90 | 449.84 | von Schnering, H.G.; Wichelhaus, W. Die Lithiumphosphide Li P5 und Li P7 Naturwissenschaften, 1972, 59, 78-79 |
1541006 | CIF | Ba H6 O5 Zn | P n a 21 | 11.786; 17.9719; 7.9336 90; 90; 90 | 1680.47 | Stahl, R.; Jacobs, H. Synthese und Kristallstruktur von Ba Zn (O H)4 . (H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 21-24 |
1541071 | CIF | Na O5 Sb Si | P n a 21 | 12.799; 6.324; 10.606 90; 90; 90 | 858.459 | Pagnoux, C.; Favard, J.F.; Piffard, Y.; Verbaere, A.; Tournoux, M. Crystal structure of Na Sb O Si O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993), 1992, 314, 151-155 |
1541296 | CIF | D1.8 Ga Li O4.9 Si | P n a 21 | 10.5659; 8.2053; 5.0247 90; 90; 90 | 435.623 | Newsam, J.M. Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework Journal of Physical Chemistry, 1988, 92, 445-452 |
1541297 | CIF | D2 Ga Li O5 Si | P n a 21 | 10.465; 8.2113; 5.0268 90; 90; 90 | 431.959 | Newsam, J.M. Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework Journal of Physical Chemistry, 1988, 92, 445-452 |
1541424 | CIF | C18 O18 Pt2 Ru4 | P n a 21 | 17.738; 15.596; 10.357 90; 90; 90 | 2865.18 | Antonucci, V.; Arico, A.S.; Marchetti, F.; Calderazzo, F.; Labella, L. A new polymorph of the heteronuclear cluster Ru4 Pt2 (C O)18 Journal of Cluster Science, 2001, 12, 293-301 |
1541510 | CIF | C4 H15 Cs N2 Na O9.5 S4 | P n a 21 | 28.325; 10.812; 11.047 90; 90; 90 | 3383.14 | Moers, O.; Blaschette, A.; Jones, P.G. Polysulfonylamine.CLXII.Kristallstrukturen von Metall-di(sulfonyl)amiden. Das orthorhombische Doppelsalz Na2 Cs2 ((C H3 S O2)2 N)4 . 3(H2 O): ein dreidimensionales Koordinationspolymer aus (Caesium-Anion-Wasser)-Schichten und intercalierten Natriumionen. Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 989-997 |
1541800 | CIF | C5 H8 Cu2 N4 | P n a 21 | 13.504; 7.4447; 8.2059 90; 90; 90 | 824.966 | Pretsch, T.; Bruedgam, I.; Hartl, H. Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 353-360 |
1541848 | CIF | C5 K3 N5 O V | P n a 21 | 13.47; 8.5292; 9.7818 90; 90; 90 | 1123.81 | Jagner, S.; Vannerberg, N.G. The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C N)5) Acta Chemica Scandinavica (1-27,1973-42,1988), 1973, 27, 3482-3498 |
1541973 | CIF | Cl4 H10 N2 O Sn | P n a 21 | 12.331; 8.379; 9.293 90; 90; 90 | 960.166 | Harrison, P.G.; Haylett, B.J.; King, T.J. The Crystal and Molecular Structure of Di-Ammonium Trichlorostannate(II) Chloride Monohydrate. Structural Correlations for Chlorotin(II) Derivatives Inorganica Chimica Acta, 1983, 75, 265-270 |
1541984 | CIF | C H17 Br Co N5 O4 | P n a 21 | 12.37; 12.144; 6.433 90; 90; 90 | 966.373 | Freeman, H.C.; Robinson, G. The Crystal Structure of Carbonatopenta-ammine-cobalt(III) Bromide Hydrate Journal of the Chemical Society, 1965, 1965, 3194-3200 |
1542323 | CIF | C68 H37 Co N19 | P n a 21 | 18.9411; 8.6917; 33.5158 90; 90; 90 | 5517.7 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542324 | CIF | C68 H37 Co N19 | P n a 21 | 19.087; 8.742; 33.634 90; 90; 90 | 5612 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542325 | CIF | C68 H37 Co N19 | P n a 21 | 18.969; 8.681; 33.397 90; 90; 90 | 5499 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542326 | CIF | C68 H37 Co N19 | P n a 21 | 19.2853; 8.727; 33.589 90; 90; 90 | 5653.1 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542327 | CIF | C68 H37 Co N19 | P n a 21 | 18.967; 8.6864; 33.532 90; 90; 90 | 5524.6 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542328 | CIF | C68 H37 Co N19 | P n a 21 | 19.074; 8.705; 33.611 90; 90; 90 | 5581 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
1542373 | CIF | C24 H18 N2 O3 | P n a 21 | 10.8282; 8.7931; 19.9988 90; 90; 90 | 1904.15 | Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction. Organic letters, 2016, 18, 316-319 |
1542396 | CIF | C21 H16 O3 | P n a 21 | 8.233; 5.5792; 34.637 90; 90; 90 | 1591 | Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K. In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study. Organic letters, 2016, 18, 144-147 |
1542519 | CIF HKL Paper | C8 H4 Br N O2 | P n a 21 | 25.1411; 5.6851; 5.1593 90; 90; 90 | 737.42 | Gurung, Sita; Golen, James A.; Manke, David R. 5-Bromo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160177 |
1542643 | CIF | C24 H21 B F2 N2 | P n a 21 | 16.262; 8.2789; 15.194 90; 90; 90 | 2045.6 | Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization. Organic letters, 2016, 18, 736-739 |
1542644 | CIF | C25 H23 B F2 N2 O | P n a 21 | 17.9538; 8.2467; 14.4494 90; 90; 90 | 2139.4 | Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization. Organic letters, 2016, 18, 736-739 |
1542730 | CIF | C22 H18 | P n a 21 | 22.283; 10.1485; 6.7864 90; 90; 90 | 1534.7 | Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects Chem. Sci., 2016, 7, 4318 |
1542986 | CIF | C342 H428 Cd24 Cl7 N24 Nd8 O128 | P n a 21 | 54.734; 27.619; 35.243 90; 90; 90 | 53277 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
1542987 | CIF | C342 H428 Cd24 Cl7 N24 O128 Tb8 | P n a 21 | 54.106; 27.127; 34.876 90; 90; 90 | 51189 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
1543017 | CIF | C24 H7 B F15 N | P n a 21 | 13.7574; 8.8592; 18.0333 90; 90; 90 | 2197.89 | Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers. Organic letters, 2016, 18, 1522-1525 |
1543038 | CIF HKL Paper | C27 H19 Cl N2 O | P n a 21 | 14.824; 8.2946; 16.924 90; 90; 90 | 2081 | Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu 1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one IUCrData, 2016, 1, x160529 |
1543044 | CIF | C50 H39 Cl10 N7 O8 Ru | P n a 21 | 16.7707; 12.8886; 24.1907 90; 90; 90 | 5228.8 | Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method Chem. Sci., 2016, 7, 4016 |
1543107 | CIF | C3 H8 N2 O6 Zn | P n a 21 | 8.6706; 7.72008; 11.4872 90; 90; 90 | 768.93 | Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K. Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3 Chem. Sci., 2016, 7, 5108 |
1543108 | CIF | C3 H7.5 N1.5 O6.5 Zn | P n a 21 | 8.61779; 7.73073; 11.50052 90; 90; 90 | 766.185 | Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K. Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3 Chem. Sci., 2016, 7, 5108 |
1543192 | CIF | C28 H20 O2 | P n a 21 | 20.259; 10.585; 9.94 90; 90; 90 | 2131.55 | Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R. Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design Chem. Sci., 2016, 7, 5307 |
1543455 | CIF HKL Paper | C11 H19 N3 O3 | P n a 21 | 18.2964; 7.1388; 10.3574 90; 90; 90 | 1352.82 | Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. Piperazin-1-ium 4-aminobenzoate monohydrate IUCrData, 2016, 1, x160819 |
1543515 | CIF | C20 H10 F4 I N3 | P n a 21 | 7.1624; 7.4352; 33.215 90; 90; 90 | 1768.8 | Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution Chem. Sci., 2016, 7, 6422 |
1543619 | CIF HKL Paper | C9 H10 O3 | P n a 21 | 11.374; 14.363; 5.05 90; 90; 90 | 825 | de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias 3,4-Dimethoxybenzaldehyde IUCrData, 2016, 1, x161008 |
1543723 | CIF | C23 H24 Br N O | P n a 21 | 11.8036; 21.3495; 7.9601 90; 90; 90 | 2006 | Li, Yang; Pan, Gao-Hui; Hu, Ming; Liu, Bang; Song, Ren-Jie; Li, Jin-Heng Intermolecular Oxidative Decarbonylative [2+2+2] Carbocyclization of N-(2-Ethynylaryl)acrylamides with Tertiary Alkyl Aldehydes involving C(sp3)-H Functionalization Chem. Sci., 2016 |
1543805 | CIF | C30 H23 N O4 S | P n a 21 | 18.3425; 10.4967; 52.3489 90; 90; 90 | 10079 | Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K. Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones. Organic letters, 2016, 18, 3066-3069 |
1543806 | CIF | C23 H17 N O2 | P n a 21 | 11.9577; 33.256; 8.9182 90; 90; 90 | 3546.5 | Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K. Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones. Organic letters, 2016, 18, 3066-3069 |
1543810 | CIF | C16 H11 N O2 | P n a 21 | 17.8024; 7.7552; 17.7401 90; 90; 90 | 2449.2 | Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie "One-Pot" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides. Organic letters, 2016, 18, 2411-2414 |
1543811 | CIF | C16 H11 N O2 | P n a 21 | 7.0519; 23.5069; 7.5339 90; 90; 90 | 1248.88 | Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie "One-Pot" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides. Organic letters, 2016, 18, 2411-2414 |
1543817 | CIF | C21 H22 Br N O3 S | P n a 21 | 23.544; 6.96; 24.234 90; 90; 90 | 3971.1 | Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams. Organic letters, 2016, 18, 2407-2410 |
1543875 | CIF HKL Paper | C12 H9 Br F N O2 S | P n a 21 | 19.7608; 12.4156; 5.0776 90; 90; 90 | 1245.75 | Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S. 4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide IUCrData, 2016, 1, x161256 |
1544062 | CIF HKL Paper | C14 H16 N2 O2 | P n a 21 | 16.7541; 11.0261; 7.2064 90; 90; 90 | 1331.3 | Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G. 2-Amino-4-methylpyridinium 4-methylbenzoate IUCrData, 2016, 1, x161411 |
1544274 | CIF HKL Paper | C18 H16 Cl F2 N O | P n a 21 | 6.2844; 11.7141; 21.6006 90; 90; 90 | 1590.15 | Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P. 3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one IUCrData, 2016, 1, x161580 |
1544302 | CIF | C20 H12 N2 | P n a 21 | 17.7436; 10.851; 7.5217 90; 90; 90 | 1448.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
1544305 | CIF | C20 H20 N2 O0 | P n a 21 | 21.105; 6.5848; 11.241 90; 90; 90 | 1562.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
1544400 | CIF HKL Paper | C40 H42 N2 O11 | P n a 21 | 14.3387; 25.331; 9.8536 90; 90; 90 | 3579 | Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo 5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate IUCrData, 2016, 1, x161698 |
1544401 | CIF HKL Paper | C17 H19 N3 O3 | P n a 21 | 8.9099; 24.55; 7.2359 90; 90; 90 | 1582.8 | El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M. 6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one IUCrData, 2016, 1, x161618 |
1544453 | CIF | Co0.4 Cu1.6 O5 Sc2 | P n a 21 | 10.427; 3.2112; 12.069 90; 90; 90 | 404.11 | Imanaka, N.; Shimizu, T.; Saito, F.; Kobayashi, Y.; Adachi, G.; Liu, G.; Greedan, Edward, J. Structure and magnetic properties of quasi-one dimensional cobalt-doped scandium cuprate compounds Journal of the Ceramic Society of Japan, 1995, 103, 330-334 |
1544528 | CIF HKL Paper | C2 H8 Cl2 N4 Pb S2 | P n a 21 | 21.1951; 4.028; 11.9433 90; 90; 90 | 1019.65 | Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K IUCrData, 2016, 1, x161745 |
1544709 | CIF HKL | C12 H14 N4 O2 | P n a 21 | 9.0504; 9.0612; 14.3565 90; 90; 90 | 1177.34 | Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen 3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one IUCrData, 2016, 1, x161895 |
1544758 | CIF | C39 H51 Cl Fe N3 P3 Si | P n a 21 | 38.962; 11.0406; 18.1487 90; 90; 90 | 7806.9 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
1544870 | CIF | Ca1.55 O4 Si Sr0.45 | P n a 21 | 20.522; 9.339; 5.558 90; 90; 90 | 1065.2 | Itoh, H.; Nishi, F.; Kuribayashi, T.; Kudoh, Y. Orientational ordering of three SiO4 tetrahedra in alpha'L-Ca1.5Sr0.5SiO4 that satisfies bond-valence requirements and avoids O-O replusion Journal of Mineralogical and Petrological Sciences, 2009, 104, 234-240 |
1544942 | CIF | C30 H25 Cl N2 O3 | P n a 21 | 20.2861; 24.7581; 31.1511 90; 90; 90 | 15645.5 | Zhao, Hong-Wu; Liu, Yue-Yang; Zhao, Yu-Di; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Tian, Ting; Li, Bo; Yang, Zhao; Du, Juan; Feng, Ning-Ning [3 + 2] Cycloaddition of Oxazol-5-(4H)-ones with Nitrones for Diastereoselective Synthesis of Isoxazolidin-5-ones. Organic letters, 2016 |
1545044 | CIF HKL Paper | C11 H8 F N O2 | P n a 21 | 31.531; 4.2752; 14.108 90; 90; 90 | 1901.8 | Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar 5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData, 2017, 2, x170028 |
1545200 | CIF | C10 H7 Cl O3 | P n a 21 | 16.6863; 4.1596; 12.8685 90; 90; 90 | 893.18 | Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel α-Glucosidase Inhibitors from Malbranchea flavorosea. Journal of natural products, 2017, 80, 190-195 |
1545230 | CIF | C17 H14 F N O | P n a 21 | 11.204; 16.267; 7.421 90; 90; 90 | 1352.5 | Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions. Organic letters, 2017, 19, 262-265 |
1545281 | CIF | C27 H40 F2 N P2 Rh | P n a 21 | 16.693; 16.565; 9.888 90; 90; 90 | 2734.2 | Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci., 2017, 8, 3178 |
1545282 | CIF | C28 H41 B11 Cl11 F N P2 Rh | P n a 21 | 20.427; 19.756; 11.606 90; 90; 90 | 4684 | Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V. Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh Chem. Sci., 2017, 8, 3178 |
1545402 | CIF | C16 H17 N3 O8 | P n a 21 | 20.8281; 4.7751; 16.9177 90; 90; 90 | 1682.57 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361 |
1545526 | CIF | C32 H24 N2 | P n a 21 | 12.6825; 14.4458; 13.1365 90; 90; 90 | 2406.72 | Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes. Organic letters, 2017, 19, 1450-1453 |
1545694 | CIF | C24 H23 N O | P n a 21 | 11.5218; 9.9089; 16.3736 90; 90; 90 | 1869.35 | Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade. Organic letters, 2017, 19, 2154-2157 |
1545772 | CIF | C19 H38 Fe2 N6 O19 P2 | P n a 21 | 21.3916; 9.4099; 16.1292 90; 90; 90 | 3246.69 | Du, Kang; Waters, Emily Alex; Harris, David David Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe Chem. Sci., 2017 |
1545968 | CIF | C18 H19 Br F3 N O2 S | P n a 21 | 7.1072; 23.128; 10.8794 90; 90; 90 | 1788.3 | Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes. Organic letters, 2017, 19, 1674-1677 |
1546026 | CIF | Ca2 O4 Si | P n a 21 | 20.5266; 9.4963; 5.5897 90; 90; 90 | 1089.58 | Mumme, W.G.; Cranswick, L.; Chakoumakos, B. Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1996, 170, 171-188 |
1546177 | CIF | C30 H56 Al N2 O3 Si3 Ti | P n a 21 | 12.528; 18.992; 15.352 90; 90; 90 | 3653 | Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity Chem. Sci., 2017 |
1546216 | CIF | C12 H8 F3 N O3 | P n a 21 | 18.3137; 12.486; 4.8092 90; 90; 90 | 1099.7 | Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction. Organic letters, 2017, 19, 2588-2591 |
1546228 | CIF | C29 H30 Cl2 N2 O3 S | P n a 21 | 20.5163; 16.682; 7.9278 90; 90; 90 | 2713.3 | Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations. Organic letters, 2017, 19, 2414-2417 |
1546362 | CIF | C9 H12 O2 | P n a 21 | 11.629; 12.235; 5.656 90; 90; 90 | 804.7 | Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane. Organic letters, 2017, 19, 3592-3595 |
1546585 | CIF | C58 H52 Ag Au Cl2 N4 O4 | P n a 21 | 22.04; 16.674; 14.2441 90; 90; 90 | 5234.6 | McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes Chem. Sci., 2017 |
1546591 | CIF | C29 H35 N3 O6 | P n a 21 | 17.429; 12.471; 13.016 90; 90; 90 | 2829 | Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J. Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas. Organic letters, 2017, 19, 4110-4113 |
1546646 | CIF HKL Paper | C15 H20 Br N3 O2 | P n a 21 | 22.569; 5.1097; 13.497 90; 90; 90 | 1556.5 | Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar 7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione IUCrData, 2017, 2, x170984 |
1546651 | CIF HKL Paper | C17 H17 N3 O | P n a 21 | 12.035; 24.5052; 4.9909 90; 90; 90 | 1471.92 | Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. 2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile IUCrData, 2017, 2, x170706 |
1546670 | CIF HKL Paper | C13 H12 N6 O2 | P n a 21 | 20.333; 14.2764; 4.5089 90; 90; 90 | 1308.85 | Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes 4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole IUCrData, 2017, 2, x170515 |
1546728 | CIF HKL Paper | C9 H21 N O2 | P n a 21 | 14.152; 9.8983; 15.9939 90; 90; 90 | 2240.4 | Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus The amino alcohol MeN(CH~2~CMe~2~OH)~2~ IUCrData, 2017, 2, x170799 |
1546842 | CIF | C24 H20 N2 O6 | P n a 21 | 28.9068; 7.9025; 8.9889 90; 90; 90 | 2053.39 | Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes Chemical Science, 2017, 8, 7112-7118 |
1546881 | CIF | Ag3 I3 Mo2 O12 | P n a 21 | 8.0072; 21.2678; 7.3241 90; 90; 90 | 1247.26 | Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> ) Dalton Transactions, 2017, 46, 12320-12327 |
1546882 | CIF | B2 Cs Na4 O13 P3 | P n a 21 | 24.5034; 6.7673; 14.7803 90; 90; 90 | 2450.9 | Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response Dalton Transactions, 2017, 46, 12605-12611 |
1546883 | CIF | B2 Na4 O13 P3 Rb | P n a 21 | 24.0348; 6.7464; 14.9206 90; 90; 90 | 2419.35 | Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response Dalton Transactions, 2017, 46, 12605-12611 |
1547118 | CIF | C25 H21 N2 O3 | P n a 21 | 9.6628; 18.241; 11.829 90; 90; 90 | 2085 | Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J. Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas. Organic letters, 2017, 19, 4110-4113 |
1547143 | CIF | F5 H6 N2 Sb | P n a 21 | 5.627; 7.034; 12.855 90; 90; 90 | 508.8 | Barbes, H.; Mascherpa, G.; Fourcade, R.; Ducourant, B. Correlations conductivite protonique-structures dans le difluorure et le pentafluoroantimonate III d hydrazinium: structure cristalline de N2H6SbF5 Journal of Solid State Chemistry, 1985, 60, 95-100 |
1547180 | CIF | C3 H6 Cl4 N3 O2 P3 | P n a 21 | 13.3686; 10.4704; 8.7799 90; 90; 90 | 1228.96 | Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O] Chemistry Central Journal, 2007, 1, 20 |
1547181 | CIF | C3 H6 Cl4 N3 O2 P3 | P n a 21 | 13.4804; 10.6442; 8.8479 90; 90; 90 | 1269.6 | Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O] Chemistry Central Journal, 2007, 1, 20 |
1547295 | CIF | C12 H16 N2 O2 | P n a 21 | 11.9025; 7.4111; 13.2657 90; 90; 90 | 1170.18 | Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines. Organic letters, 2017, 19, 5442-5445 |
1547408 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4393; 8.1764; 21.7395 90; 90; 90 | 2566.6 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547409 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4687; 8.1829; 21.8084 90; 90; 90 | 2582 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547410 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4829; 8.1938; 21.8441 90; 90; 90 | 2592.24 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547411 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4899; 8.2086; 21.9106 90; 90; 90 | 2606.09 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547412 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4902; 8.2249; 22.0106 90; 90; 90 | 2623.2 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547413 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4588; 8.18; 21.7664 90; 90; 90 | 2574.38 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547414 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4597; 8.1802; 21.7812 90; 90; 90 | 2576.35 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547415 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4638; 8.1835; 21.7953 90; 90; 90 | 2579.79 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547416 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4666; 8.1868; 21.8103 90; 90; 90 | 2583.11 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547417 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4701; 8.1889; 21.8216 90; 90; 90 | 2585.73 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547418 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4734; 8.1921; 21.8397 90; 90; 90 | 2589.48 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547419 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4763; 8.1946; 21.8522 90; 90; 90 | 2592.27 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547420 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4795; 8.1974; 21.8693 90; 90; 90 | 2595.76 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547421 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4814; 8.1993; 21.8844 90; 90; 90 | 2598.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547422 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4852; 8.202; 21.9002 90; 90; 90 | 2601.91 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547423 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4884; 8.2048; 21.9167 90; 90; 90 | 2605.34 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547424 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4914; 8.2069; 21.9332 90; 90; 90 | 2608.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547425 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.495; 8.2094; 21.9489 90; 90; 90 | 2611.81 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547426 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4973; 8.2118; 21.9658 90; 90; 90 | 2615 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547427 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.5008; 8.2141; 21.9821 90; 90; 90 | 2618.31 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547428 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.504; 8.2162; 21.9984 90; 90; 90 | 2621.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547506 | CIF | C34 H33 N O7 S | P n a 21 | 21.688; 9.136; 30.698 90; 90; 90 | 6082.5 | Chen, Junlong; Huang, You Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles. Organic letters, 2017, 19, 5609-5612 |
1547513 | CIF | C26 H44 F6 N4 O6 S2 | P n a 21 | 23.095; 13.2861; 10.6916 90; 90; 90 | 3280.6 | Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608 |
1547582 | CIF | C19 H19 Br N2 O | P n a 21 | 15.3885; 7.1222; 30.3 90; 90; 90 | 3320.9 | Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds. Organic letters, 2017, 19, 4880-4883 |
1547653 | CIF | C4 H14 Bi Br5 N2 | P n a 21 | 18.297; 10.234; 7.8231 90; 90; 90 | 1464.9 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547654 | CIF | C4 H14 Bi Br3.1 Cl1.9 N2 | P n a 21 | 18.16; 10.074; 7.6542 90; 90; 90 | 1400.3 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547655 | CIF | C4 H14 Bi Br1.8 Cl3.2 N2 | P n a 21 | 18.109; 9.998; 7.5855 90; 90; 90 | 1373.4 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547656 | CIF | C4 H14 Bi Br1.4 Cl3.6 N2 | P n a 21 | 18.12; 9.95; 7.5357 90; 90; 90 | 1358.6 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
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