Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2101392 | CIF Paper | C12 H9 N3 O | C 1 2/c 1 | 13.152; 8.987; 16.538 90; 95.6; 90 | 1945.4 | Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B, 1995, 51, 981-986 |
| 2101393 | CIF Paper | C13 H11 N3 O | P -1 | 6.704; 6.846; 13.273 81.31; 85.28; 66.02 | 550.06 | Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B, 1995, 51, 981-986 |
| 2101394 | CIF Paper | C11 H16 Cl N3 O3 | P -1 | 7.2; 10.695; 17.556 77.2; 87.94; 83.58 | 1309.9 | Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B, 1995, 51, 981-986 |
| 2101395 | CIF Paper | C11 H11 N3 O | P 1 21/c 1 | 9.535; 14.31; 7.4961 90; 105.28; 90 | 986.7 | Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B, 1995, 51, 981-986 |
| 2101396 | CIF Paper | C4 H6 N4 O8 | P 1 21/c 1 | 6.224; 10.344; 14.55 90; 101.32; 90 | 919 | Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P. Structure of 2,2,3,3-tetranitrobutane Acta Crystallographica Section B, 1995, 51, 1097-1102 |
| 2101397 | CIF Paper | C4 H6 N4 O8 | P -1 | 6.152; 7.216; 11.622 76.17; 76.93; 69.27 | 462.8 | Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P. Structure of 2,2,3,3-tetranitrobutane Acta Crystallographica Section B, 1995, 51, 1097-1102 |
| 2101398 | CIF Paper | C9 H13 N3 O5 | P 21 21 21 | 13.925; 14.715; 5.076 90; 90; 90 | 1040.1 | Chen, L.; Craven, B. M. Electrostatic properties of β-cytidine and cytosine monohydrate from Bragg diffraction Acta Crystallographica Section B, 1995, 51, 1081-1097 |
| 2101399 | CIF Paper | C28 H28 O4 Sn | C 1 2/c 1 | 17.534; 9.908; 30.011 90; 108.27; 90 | 4951 | Wharf, I.; Simard, M. G. Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section B, 1995, 51, 973-980 |
| 2101400 | CIF Paper | C28 H28 O4 Sn | P -1 | 9.145; 16.562; 18.01 77.72; 78.52; 81.7 | 2597 | Wharf, I.; Simard, M. G. Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section B, 1995, 51, 973-980 |
| 2101401 | CIF Paper | C24 H31 N O9 | C 1 2 1 | 26.555; 8.737; 11.494 90; 114.32; 90 | 2430.1 | Karle, J. M.; Lin, Ai. J. Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~ Acta Crystallographica Section B, 1995, 51, 1063-1068 |
| 2101402 | CIF Paper | C26 H35 N O9 | P 1 21 1 | 12.392; 10.639; 20.081 90; 91.51; 90 | 2646.5 | Karle, J. M.; Lin, Ai. J. Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~ Acta Crystallographica Section B, 1995, 51, 1063-1068 |
| 2101403 | CIF Paper | Cd P S3 | R -3 :H | 6.224; 6.224; 19.49 90; 90; 120 | 654 | Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B, 1995, 51, 952-961 |
| 2101404 | CIF Paper | Cd P S3 | R 3 :H | 6.224; 6.224; 19.49 90; 90; 120 | 654 | Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B, 1995, 51, 952-961 |
| 2101405 | CIF Paper | Cu O12 P3 Th2 | C 1 2/c 1 | 22.03; 6.742; 7.019 90; 108.6; 90 | 988.1 | Louër, M.; Brochu, R.; Louër, D.; Arsalane, S.; Ziyad, M. Structure determination of CuTh~2~(PO~4~)~3~ Acta Crystallographica Section B, 1995, 51, 908-913 |
| 2101406 | CIF Paper | C18 H18 | P 1 21/a 1 | 14.984; 4.802; 10.26 90; 111.52; 90 | 686.8 | Gorter, S.; Rutten-Keulemans, E.; Krever, M.; Romers, C.; Cruickshank, D. W. J. [18]-Annulene, C~18~H~18~, structure, disorder and Hückel's 4<i>n</i> + 2 rule Acta Crystallographica Section B, 1995, 51, 1036-1045 |
| 2101407 | CIF Paper | C60.5 H86 N10 O17 S2 | P 65 | 22.196; 22.196; 24.64 90; 90; 120 | 10513 | Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B, 1995, 51, 987-999 |
| 2101408 | CIF Paper | C54.67 H72 Cl2 N12 O12.67 S2 | P 21 21 21 | 16.054; 17.128; 22.706 90; 90; 90 | 6244 | Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B, 1995, 51, 987-999 |
| 2101409 | CIF Paper | C64 H90 N12 O16 S2 | P 21 21 21 | 20.94; 18.53; 18.8 90; 90; 90 | 7295 | Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B, 1995, 51, 987-999 |
| 2101410 | CIF Paper | C56 H77 Cl N14 O14 S2 | C 2 2 21 | 10.622; 17.035; 35.21 90; 90; 90 | 6371 | Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B, 1995, 51, 987-999 |
| 2101411 | CIF Paper | C6 H13 N O2 | P 1 21/a 1 | 9.9069; 4.737; 16.382 90; 104.681; 90 | 743.7 | Harding, M. M.; Kariuki, B. M.; Williams, L.; Anwar, J. <small>DL</small>-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation Acta Crystallographica Section B, 1995, 51, 1059-1062 |
| 2101412 | CIF Paper | C10 H11 N O | P b c a | 9.132; 12.931; 15.514 90; 90; 90 | 1832 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101413 | CIF Paper | C11 H13 N O | P -1 | 10.004; 10.482; 11.506 114.54; 111.28; 88.16 | 1012.7 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101414 | CIF Paper | C11 H13 N O3 | P b c a | 9.469; 8.53; 27.149 90; 90; 90 | 2192.8 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101415 | CIF Paper | C14 H11 N O2 | I b a 2 | 8.469; 15.783; 9.003 90; 90; 90 | 1203.4 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101416 | CIF Paper | C20 H18 N4 O | P 1 21/a 1 | 11.793; 7.92; 18.366 90; 100.01; 90 | 1689.3 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101417 | CIF Paper | C16 H10 Cl N O2 | P 1 21/c 1 | 4.823; 22.371; 11.814 90; 97.04; 90 | 1265.1 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101418 | CIF Paper | C13 H13 N5 O | C 1 2/c 1 | 18.97; 5.77; 23.578 90; 97.22; 90 | 2560.3 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B, 1995, 51, 1004-1015 |
| 2101419 | CIF Paper | C22 H18 N2 O2 | C 1 2/c 1 | 14.9853; 10.1607; 23.729 90; 108.68; 90 | 3422.7 | Fischer, G.; Pindur, U.; Schollmeyer, D. Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione – crystal data and theoretical calculations Acta Crystallographica Section B, 1995, 51, 999-1003 |
| 2101420 | CIF Paper | C22 H18 N2 O2 | C 1 2/c 1 | 14.977; 10.177; 23.663 90; 108.17; 90 | 3427 | Fischer, G.; Pindur, U.; Schollmeyer, D. Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione – crystal data and theoretical calculations Acta Crystallographica Section B, 1995, 51, 999-1003 |
| 2101421 | CIF Paper | C21 H24 Fe O | P 1 21/n 1 | 8.007; 13.002; 66.24 90; 91.96; 90 | 6892 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101422 | CIF Paper | C12 H14 Fe O | I 41 c d | 23.3334; 23.3334; 7.7186 90; 90; 90 | 4202.4 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101423 | CIF Paper | C18 H18 Fe O | P n a a | 9.8589; 15.28; 19.1399 90; 90; 90 | 2883.3 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101424 | CIF Paper | C19 H20 Fe O | P 1 21/c 1 | 10.2443; 10.5811; 14.2487 90; 100.19; 90 | 1520.1 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101425 | CIF Paper | C20 H22 Fe O | C 1 c 1 | 25.387; 7.6825; 17.803 90; 108.217; 90 | 3298.2 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101426 | CIF Paper | C24 H22 Fe O | C 1 2/c 1 | 26.229; 5.889; 24.553 90; 104.114; 90 | 3678 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101427 | CIF Paper | C27 H24 Fe2 O | P -1 | 9.3999; 11.1988; 11.972 117.844; 98.89; 102.362 | 1040.2 | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B, 1996, 52, 110-121 |
| 2101428 | CIF Paper | C7 H16 Cl N O2 | P 21 21 21 | 9.89; 15.324; 6.302 90; 90; 90 | 955.1 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101429 | CIF Paper | C6 H15 Br N2 O2 | P n a m | 10.35; 13.028; 6.816 90; 90; 90 | 919.1 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101430 | CIF Paper | C6 H15 Cl N2 O2 | P n a m | 10.179; 12.781; 6.713 90; 90; 90 | 873.3 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101431 | CIF Paper | C6 H15 I N2 O2 | P 1 21/c 1 | 5.919; 12.573; 13.643 90; 96.46; 90 | 1008.9 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101432 | CIF Paper | C7 H16 I N O3 | P n a m | 10.267; 15.305; 6.873 90; 90; 90 | 1080 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101433 | CIF Paper | C14 H30 I2 N2 O4 | P 1 21 1 | 12.803; 8.165; 9.612 90; 98.09; 90 | 994.8 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
| 2101434 | CIF Paper | C16 H21 N3 O7 S | P n a 21 | 18.64; 13.088; 7.502 90; 90; 90 | 1830.2 | Russell, V. A.; Ward, M. D. Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate Acta Crystallographica Section B, 1996, 52, 209-214 |
| 2101435 | CIF Paper | C34 H44 O14.5 | I 4 | 29.145; 29.145; 7.695 90; 90; 90 | 6536.4 | Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L. Molecular and crystal structure of azadirachtin-H Acta Crystallographica Section B, 1996, 52, 145-150 |
| 2101436 | CIF Paper | Bi2 Ca Cu2 O8 Sr2 | C 1 c 1 | 37.754; 5.4109; 41.07 90; 103.58; 90 | 8155 | Gladyshevskii, R. E.; Flükiger, R. Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry Acta Crystallographica Section B, 1996, 52, 38-53 |
| 2101437 | CIF Paper | Bi2 Ca Cu2 O8 Sr2 | C c c 2 | 5.4112; 30.873; 5.416 90; 90; 90 | 904.8 | Gladyshevskii, R. E.; Flükiger, R. Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry Acta Crystallographica Section B, 1996, 52, 38-53 |
| 2101438 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.148; 3.148; 4.779 90; 90; 120 | 41.01 | Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B, 1996, 52, 82-86 |
| 2101439 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.145; 3.145; 4.74 90; 90; 120 | 40.6 | Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B, 1996, 52, 82-86 |
| 2101440 | CIF Paper | C20 H14 Cl2 O4 | P 1 21/n 1 | 7.672; 8.217; 29.042 90; 92.41; 90 | 1829.2 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
| 2101441 | CIF Paper | C22 H14 N2 O4 | P 1 21/n 1 | 7.864; 27.588; 8.76 90; 101.88; 90 | 1859.8 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
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