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 |
|---|---|---|---|---|---|---|
| 2101492 | CIF Paper | C16 H22 N4 O6 | P -1 | 7.9; 10.061; 12.048 71.37; 78.13; 72.17 | 857.6 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
| 2101493 | CIF Paper | C20 H22 N4 O6 | P -1 | 8.558; 11.077; 11.437 108.57; 94.37; 99.77 | 1002.9 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
| 2101494 | CIF Paper | C20 H22 N4 O6 | P 1 21/n 1 | 10.357; 14.578; 12.676 90; 97.99; 90 | 1895.3 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
| 2101495 | CIF Paper | C21 H23 N3 O2 | P b c a | 34.845; 10.013; 10.918 90; 90; 90 | 3809 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
| 2101496 | CIF Paper | C19 H21 N3 O2 | P 21 21 21 | 8.321; 12.411; 17.008 90; 90; 90 | 1756.4 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
| 2101497 | CIF Paper | C19 H21 N3 | P 1 21/a 1 | 16.607; 11.427; 9.668 90; 114.38; 90 | 1671.1 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
| 2101498 | CIF Paper | C18 H36 Cl2 N2 Pd2 S4 | P 1 21/a 1 | 16.393; 9.235; 11.176 90; 128.01; 90 | 1333 | Nyburg, S. C. Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium Acta Crystallographica Section B, 1996, 52, 328-331 |
| 2101499 | CIF Paper | C | F d -3 m | 3.56658; 3.56658; 3.56658 90; 90; 90 | 45.3687 | Yamanaka, T.; Morimoto, S. Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond Acta Crystallographica Section B, 1996, 52, 232-238 |
| 2101500 | CIF Paper | C4 H16 N Na O10 | P 21 21 2 | 12.206; 14.451; 6.25 90; 90; 90 | 1102.4 | Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B, 1996, 52, 296-302 |
| 2101501 | CIF Paper | C4 H15.76 K0.06 N0.94 Na O10 | P 21 21 2 | 12.172; 14.421; 6.239 90; 90; 90 | 1095.2 | Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B, 1996, 52, 296-302 |
| 2101502 | CIF Paper | C4 H15.6 K0.1 N0.9 Na O10 | P 21 21 2 | 12.165; 14.42; 6.239 90; 90; 90 | 1094 | Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B, 1996, 52, 296-302 |
| 2101504 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 7.313; 17.156; 7.64 90; 92.71; 90 | 957.5 | Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 332-343 |
| 2101505 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 19.141; 5.154; 10.323 90; 116.23; 90 | 913.5 | Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 332-343 |
| 2101506 | CIF Paper | C10 H8 Cl N O2 | P b c a | 61.08; 12.115; 7.674 90; 90; 90 | 5679 | Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 332-343 |
| 2101507 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 20.244; 4.829; 10.728 90; 116.3; 90 | 940.2 | Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 332-343 |
| 2101508 | CIF Paper | C10 H8 Br N O2 | P -1 | 5.645; 9.713; 10.019 116.02; 92.67; 100.12 | 481.2 | Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 332-343 |
| 2101509 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.939; 8.939; 10.893 90; 90; 120 | 753.8 | Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B, 1996, 52, 458-464 |
| 2101510 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.931; 8.931; 10.893 90; 90; 120 | 752.5 | Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B, 1996, 52, 458-464 |
| 2101511 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.947; 8.947; 10.898 90; 90; 120 | 755.5 | Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B, 1996, 52, 458-464 |
| 2101512 | CIF Paper | Ho2 O3 | I a -3 | 10.605; 10.605; 10.605 90; 90; 90 | 1192.7 | Maslen, E. N.; Streltsov, V. A.; Ishizawa, N. A synchrotron X-ray study of the electron density in <i>C</i>-type rare earth oxides Acta Crystallographica Section B, 1996, 52, 414-422 |
| 2101513 | CIF Paper | C29 H29 Ta | P 3 1 c | 12.681; 12.681; 16.124 90; 90; 120 | 2245.5 | Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C. A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning' Acta Crystallographica Section B, 1996, 52, 465-470 |
| 2101514 | CIF Paper | Bi2 Nb2 O9 Pb | A 21 a m | 5.503; 5.495; 25.531 90; 90; 90 | 772 | Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A. Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~ Acta Crystallographica Section B, 1996, 52, 432-439 |
| 2101515 | CIF Paper | Bi2 Nb2 O9 Pb | A 21 a m | 5.504; 5.487; 25.511 90; 90; 90 | 770.4 | Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A. Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~ Acta Crystallographica Section B, 1996, 52, 432-439 |
| 2101516 | CIF Paper | Co Na O4 P | P n m a | 8.871; 6.78; 5.023 90; 90; 90 | 302.11 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
| 2101517 | CIF Paper | Co Na O4 P | P 65 | 10.166; 10.166; 23.881 90; 90; 120 | 2137.4 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
| 2101518 | CIF Paper | C8 H4 N4 O6 | P 1 21/c 1 | 8.4668; 8.5533; 12.4657 90; 90.341; 90 | 902.74 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101519 | CIF Paper | C8 H4 N4 O6 | P 21 21 21 | 6.9774; 13.083; 20.401 90; 90; 90 | 1862.3 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101520 | CIF Paper | C8 H7 N3 O5 | P 1 21/n 1 | 7.4744; 11.9265; 10.491 90; 97.513; 90 | 927.18 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101521 | CIF Paper | C8 H4 Cl2 N2 O2 | P 1 21/n 1 | 7.2066; 8.4502; 14.4709 90; 99.707; 90 | 868.62 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101522 | CIF Paper | C11 H11 Cl2 N3 O3 | P -1 | 6.1501; 8.3787; 13.7356 107.407; 99.304; 95.032 | 659.5 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101523 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B, 1996, 52, 471-478 |
| 2101524 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B, 1996, 52, 471-478 |
| 2101526 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 7.204; 13.67; 6.041 90; 90; 90 | 594.9 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101527 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 18.238; 10.265; 6.616 90; 90; 90 | 1238.6 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101528 | CIF Paper | C4 H8 O3 S | P 1 21/n 1 | 6.06; 11.185; 9.186 90; 101.32; 90 | 610.5 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101529 | CIF Paper | C21 H25 Cl N2 O4 | P 21 21 21 | 7.81; 15.007; 18.326 90; 90; 90 | 2147.9 | Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G. Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes) Acta Crystallographica Section B, 1996, 52, 500-504 |
| 2101530 | CIF Paper | C27 H50 O6 | P 21 21 21 | 6.234; 15.628; 30.749 90; 90; 90 | 2995.7 | Suwińska, K.; Kutner, A. Crystal and molecular structure of 1,25-dihydroxycholecalciferol Acta Crystallographica Section B, 1996, 52, 550-554 |
| 2101531 | CIF Paper | C23 H29 Br N3 O3.5 | C 1 2/c 1 | 21.916; 15.207; 14.052 90; 101.56; 90 | 4588.2 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101532 | CIF Paper | C8 H11 N5 | P 1 21/c 1 | 9.781; 35.04; 11 90; 97.72; 90 | 3735.8 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101533 | CIF Paper | C15 H17 Cl2 N O2 | P -1 | 8.48; 9.84; 10.158 90.04; 111.77; 105.07 | 755.6 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101534 | CIF Paper | C18 H21 Cl N2 | P 1 21/a 1 | 9.014; 14.917; 12.412 90; 108.84; 90 | 1579.5 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101535 | CIF Paper | Fe3 O4 | F d -3 m {origin @ centre (-3m)} | 8.3922; 8.3922; 8.3922 90; 90; 90 | 591.05 | Okudera, H.; Kihara, K.; Matsumoto, T. Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K Acta Crystallographica Section B, 1996, 52, 450-457 |
| 2101536 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.333; 7.93; 10.81 90; 98; 90 | 622.5 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>–<i>X</i> and <i>X</i>–(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101537 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>–<i>X</i> and <i>X</i>–(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101538 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>–<i>X</i> and <i>X</i>–(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101539 | CIF Paper | H I O Sr | P n m a | 7.7294; 4.24697; 10.7374 90; 90; 90 | 352.472 | Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D. Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction Acta Crystallographica Section B, 1996, 52, 423-427 |
| 2101540 | CIF Paper | C7 H8 K2 O7 S2 | P 1 21/c 1 | 10.674; 10.79; 10.543 90; 99.97; 90 | 1195.9 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
| 2101541 | CIF Paper | C10 H17 K N O6.5 S2 | P 1 21/m 1 | 10.891; 6.657; 21.212 90; 101.64; 90 | 1506.3 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
| 2101542 | CIF Paper | C11 H14 N6 | P -1 | 10.717; 7.762; 7.418 71.078; 82.838; 78.941 | 571.585 | Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B, 1996, 52, 555-561 |
| 2101543 | CIF Paper | C11 H14 N6 | P 1 21/c 1 | 8.09; 7.929; 17.518 90; 90; 90 | 1123.7 | Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B, 1996, 52, 555-561 |
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