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 |
|---|---|---|---|---|---|---|
| 2102545 | CIF Paper | C11 H12 O3 | P -1 | 8.6452; 10.8577; 17.262 92.47; 92.102; 112.563 | 1492.4 | Fernandes, Manuel A.; Levendis, D. C. Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K Acta Crystallographica Section B, 2004, 60, 315-324 |
| 2102546 | CIF Paper | C11 H12 O3 | P -1 | 8.6164; 10.8765; 17.292 93.157; 92.001; 112.657 | 1490.4 | Fernandes, Manuel A.; Levendis, D. C. Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K Acta Crystallographica Section B, 2004, 60, 315-324 |
| 2102547 | CIF Paper | C11 H12 O3 | P -1 | 8.4919; 10.9148; 17.372 96.027; 91.772; 111.956 | 1480.8 | Fernandes, Manuel A.; Levendis, D. C. Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K Acta Crystallographica Section B, 2004, 60, 315-324 |
| 2102548 | CIF Paper | C11 H12 O3 | P -1 | 8.3863; 10.9711; 17.427 98.323; 91.809; 111.336 | 1471.6 | Fernandes, Manuel A.; Levendis, D. C. Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K Acta Crystallographica Section B, 2004, 60, 315-324 |
| 2102549 | CIF Paper | C33 H36 O9 | P -1 | 8.3099; 11.0026; 17.471 99.768; 91.912; 110.392 | 1468.2 | Fernandes, Manuel A.; Levendis, D. C. Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K Acta Crystallographica Section B, 2004, 60, 315-324 |
| 2102550 | CIF Paper | N4 Si3 | P 63/m | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102551 | CIF Paper | N4 Si3 | P 63 | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102552 | CIF Paper | N4 Si3 | P 63/m | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102553 | CIF Paper | N4 Si3 | P 63 | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102554 | CIF Paper | N4 Si3 | P 63/m | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102555 | CIF Paper | N4 Si3 | P 63 | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102556 | CIF Paper | Li3 O13 V6 | C 1 2/m 1 | 11.792; 3.9214; 10.189 90; 100.596; 90 | 463.12 | Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism Acta Crystallographica Section B, 2004, 60, 382-387 |
| 2102557 | CIF Paper | Li3.25 O13 V6 | C 1 2/m 1 | 11.7236; 3.9155; 10.1521 90; 100.592; 90 | 458.08 | Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism Acta Crystallographica Section B, 2004, 60, 382-387 |
| 2102558 | CIF Paper | C16 H24 Cl2 O2 S5 | P 1 21/n 1 | 11.6666; 8.1343; 23.8366 90; 99.6985; 90 | 2229.75 | Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure Acta Crystallographica, Section B, 2004, 60, 416-423 |
| 2102559 | CIF Paper | C16 H24 Cl2 O2 S5 | P 1 21/n 1 | 11.6666; 8.1343; 23.8366 90; 99.6985; 90 | 2229.75 | Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure Acta Crystallographica, Section B, 2004, 60, 416-423 |
| 2102560 | CIF Paper | F3 K Mn | P m -3 m | 4.185; 4.185; 4.185 90; 90; 90 | 73.3 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
| 2102561 | CIF Paper | F3 K Mn | P m -3 m | 4.1869; 4.1869; 4.1869 90; 90; 90 | 73.4 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
| 2102562 | CIF Paper | F3 K Mn | P m -3 m | 4.1893; 4.1893; 4.1893 90; 90; 90 | 73.52 | Ivanov, Yury; Tanaka, Kiyoaki Electron density and electrostatic potential of KMnF~3~: A phase transition study Acta Crystallographica, Section B, 2004, 60, 359-368 |
| 2102563 | CIF Paper | C12 H22 O11 | P 1 21 1 | 7.7795; 19.6931; 4.90643 90; 103.691; 90 | 730.32 | Cyril Platteau; Jacques Lefebvre; Frederic Affouard; Patrick Derollez <i>Ab initio</i> structure determination of the hygroscopic anhydrous form of α-lactose by powder X-ray diffraction Acta Crystallographica Section B, 2004, 60, 453-460 |
| 2102564 | CIF HKL Paper | C8 H8 O6 | P -1 | 3.6673; 9.7608; 11.8421 97.647; 90.219; 100.537 | 412.87 | Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W. 2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization Acta Crystallographica Section B, 2004, 60, 438-446 |
| 2102565 | CIF HKL Paper | C32 H25 O5 P | P 1 21/c 1 | 15.287; 8.027; 22.144 90; 101.15; 90 | 2666 | Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W. 2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization Acta Crystallographica Section B, 2004, 60, 438-446 |
| 2102566 | CIF Paper | C26 H38 O21 S2 | C 1 2 1 | 21.3279; 8.9299; 8.8382 90; 99.4537; 90 | 1660.43 | Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B, 2004, 60, 461-471 |
| 2102567 | CIF Paper | C38 H46 O21 S2 | P 21 21 21 | 18.1484; 21.1046; 23.4224 90; 90; 90 | 8971.1 | Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B, 2004, 60, 461-471 |
| 2102568 | CIF Paper | C24.7 H34.1 N6 O15.35 | P 21 21 21 | 12.2281; 15.5803; 18.1066 90; 90; 90 | 3449.6 | Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B, 2004, 60, 461-471 |
| 2102569 | CIF Paper | C24 H40 N2 O17 | P 21 21 2 | 8.8385; 21.8363; 8.0831 90; 90; 90 | 1560.04 | Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B, 2004, 60, 461-471 |
| 2102570 | CIF Paper | C12 H28 N2 O11 | P 43 21 2 | 8.6093; 8.6093; 22.1566 90; 90; 90 | 1642.25 | Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L. Supramolecular structures of substituted α,α'-trehalose derivatives Acta Crystallographica Section B, 2004, 60, 461-471 |
| 2102571 | CIF Paper | C13 H11 I N2 O2 | P 1 21/c 1 | 16.1564; 9.3589; 8.3326 90; 96.333; 90 | 1252.25 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2004, 60, 472-480 |
| 2102572 | CIF Paper | C13 H11 I N2 O2 | P 21 21 21 | 7.0966; 12.5908; 13.836 90; 90; 90 | 1236.27 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2004, 60, 472-480 |
| 2102573 | CIF Paper | C13 H11 I N2 O2 | P 1 21/c 1 | 21.2778; 8.1809; 7.2793 90; 94.316; 90 | 1263.53 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2004, 60, 472-480 |
| 2102574 | CIF Paper | C13 H11 I N2 O2 | P -1 | 8.1685; 10.8834; 15.4372 76.9219; 80.0727; 74.2167 | 1277.36 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2004, 60, 472-480 |
| 2102575 | CIF Paper | C23 H22 N2 O4 | P 1 21 1 | 5.0472; 11.3381; 16.8796 90; 94.331; 90 | 963.19 | Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea Structural features controlling the binding of β-carbolines to the benzodiazepine receptor Acta Crystallographica Section B, 2004, 60, 481-489 |
| 2102576 | CIF Paper | C23 H22 N2 O4 | P 21 21 21 | 9.9033; 11.5758; 17.1805 90; 90; 90 | 1969.55 | Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea Structural features controlling the binding of β-carbolines to the benzodiazepine receptor Acta Crystallographica Section B, 2004, 60, 481-489 |
| 2102577 | CIF Paper | C13 H11 N3 O | C 1 2/c 1 | 14.3632; 7.6804; 19.6712 90; 90.934; 90 | 2169.74 | Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea Structural features controlling the binding of β-carbolines to the benzodiazepine receptor Acta Crystallographica Section B, 2004, 60, 481-489 |
| 2102578 | CIF Paper | C13 H14 Cl N2 O1.5 | C 1 2/c 1 | 16.9891; 12.5409; 13.7967 90; 121.896; 90 | 2495.67 | Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea Structural features controlling the binding of β-carbolines to the benzodiazepine receptor Acta Crystallographica Section B, 2004, 60, 481-489 |
| 2102579 | CIF Paper | C34 H45 N5 O7 S2 | P 1 21 1 | 10.5077; 13.2881; 13.515 90; 101.924; 90 | 1846.3 | Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide Acta Crystallographica Section B, 2004, 60, 433-437 |
| 2102580 | CIF Paper | C35 H47 N5 O7 S3 | C 1 2 1 | 29.39; 12.882; 10.609 90; 103.373; 90 | 3907.7 | Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide Acta Crystallographica Section B, 2004, 60, 433-437 |
| 2102581 | CIF Paper | C39 H53 N5 O8 S2 | P 1 21 1 | 10.6395; 13.213; 14.6921 90; 98.931; 90 | 2040.4 | Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide Acta Crystallographica Section B, 2004, 60, 433-437 |
| 2102582 | CIF Paper | O5 V2 | P 1 21/m 1 | 7.114; 3.57177; 6.2846 90; 90.069; 90 | 159.689 | Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P. Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~ Acta Crystallographica Section B, 2004, 60, 375-381 |
| 2102584 | CIF HKL Paper | C13 H11 N | P 1 21/c 1 | 11.9503; 7.9347; 12.1664 90; 118.321; 90 | 1015.6 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102585 | CIF HKL Paper | C13 H11 N | P 1 21/c 1 | 11.8429; 7.7182; 12.1211 90; 118.341; 90 | 975.14 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102586 | CIF HKL Paper | C14 H11 N O2 | P 1 21/c 1 | 6.6639; 30.878; 7.6091 90; 133.576; 90 | 1134.3 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102587 | CIF HKL Paper | C14 H11 N O2 | P 1 21/c 1 | 6.6193; 30.381; 7.5764 90; 134.151; 90 | 1093.21 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102588 | CIF HKL Paper | C14 H12 N2 O2 | P 1 21/c 1 | 15.5033; 7.2979; 12.7983 90; 123.625; 90 | 1205.74 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102589 | CIF HKL Paper | C14 H12 N2 O2 | P 1 21/c 1 | 15.4449; 7.107; 12.6557 90; 123.37; 90 | 1160.15 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102590 | CIF HKL Paper | C14 H12 N2 O3 | P 1 21/c 1 | 12.8889; 7.1007; 14.0304 90; 102.815; 90 | 1252.08 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102591 | CIF HKL Paper | C14 H12 N2 O3 | P 1 21/c 1 | 12.7478; 6.9429; 13.998 90; 102.446; 90 | 1209.8 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102592 | CIF HKL Paper | C14 H12 N2 O2 | P -1 | 7.1098; 12.5649; 14.3814 72.617; 83.926; 86.144 | 1218.33 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102593 | CIF HKL Paper | C14 H12 N2 O2 | P -1 | 6.961; 12.3496; 14.3296 73.168; 82.719; 85.061 | 1167.99 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102594 | CIF HKL Paper | C14 H13 N O | P 1 21/n 1 | 10.2529; 12.644; 18.2037 90; 95.998; 90 | 2347 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
| 2102595 | CIF HKL Paper | C14 H13 N O | P 1 21/n 1 | 10.0666; 12.6374; 17.732 90; 95.226; 90 | 2246.4 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Torsional vibration and central bond length of <i>N</i>-benzylideneanilines Acta Crystallographica Section B, 2004, 60, 578-588 |
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