Crystallography Open Database

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2102545 CIF
Paper
C11 H12 O3P -18.6452; 10.8577; 17.262
92.47; 92.102; 112.563
1492.4Fernandes, 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 O3P -18.6164; 10.8765; 17.292
93.157; 92.001; 112.657
1490.4Fernandes, 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 O3P -18.4919; 10.9148; 17.372
96.027; 91.772; 111.956
1480.8Fernandes, 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 O3P -18.3863; 10.9711; 17.427
98.323; 91.809; 111.336
1471.6Fernandes, 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 O9P -18.3099; 11.0026; 17.471
99.768; 91.912; 110.392
1468.2Fernandes, 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 Si3P 63/m7.6044; 7.6044; 2.9063
90; 90; 120
145.546du 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 Si3P 637.6044; 7.6044; 2.9063
90; 90; 120
145.546du 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 Si3P 63/m7.6015; 7.6015; 2.9061
90; 90; 120
145.425du 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 Si3P 637.6015; 7.6015; 2.9061
90; 90; 120
145.425du 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 Si3P 63/m7.602; 7.602; 2.906
90; 90; 120
145.439du 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 Si3P 637.602; 7.602; 2.906
90; 90; 120
145.439du 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 V6C 1 2/m 111.792; 3.9214; 10.189
90; 100.596; 90
463.12Höwing, 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 V6C 1 2/m 111.7236; 3.9155; 10.1521
90; 100.592; 90
458.08Höwing, 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 S5P 1 21/n 111.6666; 8.1343; 23.8366
90; 99.6985; 90
2229.75Rae, 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 S5P 1 21/n 111.6666; 8.1343; 23.8366
90; 99.6985; 90
2229.75Rae, 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 MnP m -3 m4.185; 4.185; 4.185
90; 90; 90
73.3Ivanov, 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 MnP m -3 m4.1869; 4.1869; 4.1869
90; 90; 90
73.4Ivanov, 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 MnP m -3 m4.1893; 4.1893; 4.1893
90; 90; 90
73.52Ivanov, 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 O11P 1 21 17.7795; 19.6931; 4.90643
90; 103.691; 90
730.32Cyril 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 O6P -13.6673; 9.7608; 11.8421
97.647; 90.219; 100.537
412.87Bawa, 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 PP 1 21/c 115.287; 8.027; 22.144
90; 101.15; 90
2666Bawa, 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 S2C 1 2 121.3279; 8.9299; 8.8382
90; 99.4537; 90
1660.43Baddeley, 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 S2P 21 21 2118.1484; 21.1046; 23.4224
90; 90; 90
8971.1Baddeley, 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 O15.35P 21 21 2112.2281; 15.5803; 18.1066
90; 90; 90
3449.6Baddeley, 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 O17P 21 21 28.8385; 21.8363; 8.0831
90; 90; 90
1560.04Baddeley, 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 O11P 43 21 28.6093; 8.6093; 22.1566
90; 90; 90
1642.25Baddeley, 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 O2P 1 21/c 116.1564; 9.3589; 8.3326
90; 96.333; 90
1252.25Glidewell, 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 O2P 21 21 217.0966; 12.5908; 13.836
90; 90; 90
1236.27Glidewell, 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 O2P 1 21/c 121.2778; 8.1809; 7.2793
90; 94.316; 90
1263.53Glidewell, 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 O2P -18.1685; 10.8834; 15.4372
76.9219; 80.0727; 74.2167
1277.36Glidewell, 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 O4P 1 21 15.0472; 11.3381; 16.8796
90; 94.331; 90
963.19Ferretti, 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 O4P 21 21 219.9033; 11.5758; 17.1805
90; 90; 90
1969.55Ferretti, 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 OC 1 2/c 114.3632; 7.6804; 19.6712
90; 90.934; 90
2169.74Ferretti, 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 O1.5C 1 2/c 116.9891; 12.5409; 13.7967
90; 121.896; 90
2495.67Ferretti, 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 S2P 1 21 110.5077; 13.2881; 13.515
90; 101.924; 90
1846.3Doi, 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 S3C 1 2 129.39; 12.882; 10.609
90; 103.373; 90
3907.7Doi, 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 S2P 1 21 110.6395; 13.213; 14.6921
90; 98.931; 90
2040.4Doi, 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 V2P 1 21/m 17.114; 3.57177; 6.2846
90; 90.069; 90
159.689Filonenko, 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 NP 1 21/c 111.9503; 7.9347; 12.1664
90; 118.321; 90
1015.6Harada, 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 NP 1 21/c 111.8429; 7.7182; 12.1211
90; 118.341; 90
975.14Harada, 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 O2P 1 21/c 16.6639; 30.878; 7.6091
90; 133.576; 90
1134.3Harada, 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 O2P 1 21/c 16.6193; 30.381; 7.5764
90; 134.151; 90
1093.21Harada, 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 O2P 1 21/c 115.5033; 7.2979; 12.7983
90; 123.625; 90
1205.74Harada, 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 O2P 1 21/c 115.4449; 7.107; 12.6557
90; 123.37; 90
1160.15Harada, 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 O3P 1 21/c 112.8889; 7.1007; 14.0304
90; 102.815; 90
1252.08Harada, 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 O3P 1 21/c 112.7478; 6.9429; 13.998
90; 102.446; 90
1209.8Harada, 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 O2P -17.1098; 12.5649; 14.3814
72.617; 83.926; 86.144
1218.33Harada, 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 O2P -16.961; 12.3496; 14.3296
73.168; 82.719; 85.061
1167.99Harada, 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 OP 1 21/n 110.2529; 12.644; 18.2037
90; 95.998; 90
2347Harada, 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 OP 1 21/n 110.0666; 12.6374; 17.732
90; 95.226; 90
2246.4Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Torsional vibration and central bond length of <i>N</i>-benzylideneanilines
Acta Crystallographica Section B, 2004, 60, 578-588
2102596 CIF
HKL
Paper
C15 H15 N OP n a 2112.2403; 13.8088; 7.4287
90; 90; 90
1255.63Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Torsional vibration and central bond length of <i>N</i>-benzylideneanilines
Acta Crystallographica Section B, 2004, 60, 578-588
2102597 CIF
HKL
Paper
C15 H15 N OP n a 2112.0319; 13.819; 7.263
90; 90; 90
1207.6Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Torsional vibration and central bond length of <i>N</i>-benzylideneanilines
Acta Crystallographica Section B, 2004, 60, 578-588
2102598 CIF
Paper
C13 H10 N2 O2P 1 21/n 114.6363; 10.8175; 14.7228
90; 101.943; 90
2280.6Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102599 CIF
Paper
C13 H10 N2 O2P 1 21/n 114.4053; 10.7367; 14.7627
90; 101.617; 90
2236.5Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102600 CIF
HKL
Paper
C13 H10 N2 O2P 1 21/n 114.2105; 10.6596; 14.8045
90; 101.228; 90
2199.6Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102601 CIF
HKL
Paper
C14 H12 Cl NP 1 21/a 15.9663; 7.3989; 13.7221
90; 99.12; 90
598.09Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102602 CIF
HKL
Paper
C14 H12 Cl NP 1 21/a 15.9174; 7.2879; 13.7049
90; 99.233; 90
583.37Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102603 CIF
Paper
C14 H12 Cl NP 1 21/a 15.8827; 7.1953; 13.6919
90; 99.385; 90
571.79Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102604 CIF
HKL
Paper
C15 H15 NP 1 21/c 19.8766; 4.8839; 12.0187
90; 90.499; 90
579.72Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102605 CIF
HKL
Paper
C15 H15 NP 1 21/c 19.8649; 4.8663; 11.9484
90; 90.518; 90
573.57Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102606 CIF
Paper
C15 H15 NP 1 21/c 19.8565; 4.8494; 11.8748
90; 90.561; 90
567.57Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102607 CIF
Paper
C15 H15 NP 1 21/c 19.8477; 4.8327; 11.7991
90; 90.631; 90
561.5Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102608 CIF
HKL
Paper
C15 H15 NP 1 21/c 19.8184; 4.8159; 11.7536
90; 90.689; 90
555.72Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102609 CIF
Paper
C15 H15 NP 1 21/c 19.7961; 4.8169; 11.7947
90; 90.614; 90
556.52Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102610 CIF
HKL
Paper
C15 H15 NP 1 21/c 19.8177; 4.815; 11.7497
90; 90.691; 90
555.39Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102611 CIF
Paper
C15 H15 NP 1 21/c 19.8781; 4.8848; 12.0214
90; 90.488; 90
580.04Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102612 CIF
Paper
C15 H15 NP 1 21/c 19.8785; 4.8853; 12.0209
90; 90.489; 90
580.1Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102613 CIF
Paper
C15 H15 NP 1 21/c 19.7951; 4.8164; 11.7933
90; 90.617; 90
556.34Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of <i>N</i>-benzylideneanilines in crystals
Acta Crystallographica Section B, 2004, 60, 589-597
2102614 CIF
Paper
C16 H8 F4 I2 N2 O2P -14.2279; 8.009; 13.569
101.18; 98.946; 102.349
430.91Riccardo Bianchi; Alessandra Forni; Tullio Pilati
Experimental Electron Density Study of the Supramolecular Aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90K
Acta Crystallographica, Section B, 2004, 60, 559-568
2102615 CIF
Paper
C13.08 H25 N3 O6P 31 2 116.0682; 16.0682; 11.5317
90; 90; 120
2578.4Görbitz, Carl Henrik
A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine
Acta Crystallographica Section B, 2004, 60, 569-577
2102616 CIF
Paper
C13.8 H27.2 N3.4 O4.7P 21 21 216.2957; 23.426; 9.5842
90; 90; 90
3658.7Görbitz, Carl Henrik
A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine
Acta Crystallographica Section B, 2004, 60, 569-577
2102617 CIF
Paper
C12 H28 N2 O5P 21 21 217.6341; 12.5335; 16.3923
90; 90; 90
1568.45Görbitz, Carl Henrik
A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine
Acta Crystallographica Section B, 2004, 60, 569-577
2102618 CIF
Paper
C12 H27 N3 O3P 16.7765; 9.718; 11.882
81.58; 80.484; 88.35
763.4Görbitz, Carl Henrik
A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine
Acta Crystallographica Section B, 2004, 60, 569-577
2102619 CIF
Paper
C18 H12 N2 O10 S2C 1 2/c 111.667; 10.803; 15.868
90; 108.2; 90
1900Munro, Orde Quentin; Mariah, Lynette
Conformational analysis: crystallographic, molecular mechanics and quantum chemical studies of C—H···O hydrogen bonding in the flexible bis(nosylate) derivative of catechol
Acta Crystallographica Section B, 2004, 60, 598-608
2102620 CIF
Paper
C10 H14 Br2 Cl6 N2 O2 PtP 1 21/n 110.634; 9.131; 11.03
90; 108.076; 90
1018.14Zordan, Fiorenzo; Brammer, Lee
Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates
Acta Crystallographica Section B, 2004, 60, 512-519
2102621 CIF
Paper
C10 H14 Cl6 I2 N2 O2 PtP 1 2/n 17.968; 7.32; 18.243
90; 100.3; 90
1046.9Zordan, Fiorenzo; Brammer, Lee
Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates
Acta Crystallographica Section B, 2004, 60, 512-519
2102622 CIF
Paper
C10 H14 Cl6 I2 N2 O2 PtP -17.395; 11.002; 13.727
97.453; 95.101; 103.968
1066.2Zordan, Fiorenzo; Brammer, Lee
Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates
Acta Crystallographica Section B, 2004, 60, 512-519
2102623 CIF
Paper
C8 H6 Br I N2 O3P -14.797; 7.673; 15.654
96.98; 97.03; 103.34
549.7Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102624 CIF
Paper
C7 H5 N3 O6C 1 2/c 113.644; 9.55; 8.754
90; 121.31; 90
974.5Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102625 CIF
Paper
C7 H5 N3 O6P -17.7; 8.329; 8.694
87.89; 65.1; 67.33
461.4Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102626 CIF
Paper
C9 H9 N3 O5P 1 21/c 19.686; 11.368; 9.976
90; 98.74; 90
1085.7Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102627 CIF
Paper
C9 H10 N2 O3P 1 21/c 110.43; 9.991; 9.574
90; 99.51; 90
984Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102628 CIF
Paper
C14 H14 N6 O8C m c 2112.239; 10.582; 13.582
90; 90; 90
1759Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
Acta Crystallographica Section B, 2004, 60, 609-620
2102629 CIF
Paper
Ba Cu O6 Si2I 41/a c d :210.0091; 10.0091; 22.467
90; 90; 90
2250.8Sparta, Karine M.; Roth, Georg
Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature
Acta Crystallographica Section B, 2004, 60, 491-495
2102630 CIF
Paper
Ba Cu O6 Si2I 4/m m m7.1104; 7.1104; 11.175
90; 90; 90
565Sparta, Karine M.; Roth, Georg
Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature
Acta Crystallographica Section B, 2004, 60, 491-495
2102631 CIF
Paper
C122 H56 Ba Co N4C 1 2 125.169; 15.018; 19.429
90; 93.3; 90
7332Karen Friese; Martin Panthöfer; Guang Wu; Martin Jansen
?
Acta Crystallographica, Section B, 2004, 60, 520-527
2102632 CIF
Paper
C18 H30 B2 Br6 F8 Fe N24P 1 21/c 112.2832; 18.0705; 10.4767
90; 90.106; 90
2325.4Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.
Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data
Acta Crystallographica Section B, 2004, 60, 528-538
2102633 CIF
Paper
C18 H30 B2 Br6 F8 Fe N24P 1 21/c 111.9297; 17.8169; 10.2874
90; 89.992; 90
2186.59Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.
Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data
Acta Crystallographica Section B, 2004, 60, 528-538
2102634 CIF
Paper
C18 H30 B2 F8 Fe I6 N24P 1 21/c 112.6425; 18.0349; 10.64881
90; 90.308; 90
2427.96Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.
Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data
Acta Crystallographica Section B, 2004, 60, 528-538
2102635 CIF
Paper
C18 H30 B2 F8 Fe I6 N24P 1 21/c 112.3177; 17.6766; 10.4685
90; 90.5991; 90
2279.23Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.
Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data
Acta Crystallographica Section B, 2004, 60, 528-538
2102636 CIF
HKL
Paper
C18 H26 Mg O14P 1 21/c 19.082; 7.847; 15.197
90; 96.842; 90
1075.32Langkilde, A.; Madsen, D.; Larsen, S.
Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion
Acta Crystallographica Section B, 2004, 60, 502-511
2102637 CIF
HKL
Paper
C12 H17 N O4P 1 21/c 123.289; 10.279; 15.298
90; 93.8; 90
3654.1Langkilde, A.; Madsen, D.; Larsen, S.
Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion
Acta Crystallographica Section B, 2004, 60, 502-511
2102638 CIF
HKL
Paper
C18 H15 N3 O4P 1 21/c 17.179; 9.0034; 24.61
90; 98.76; 90
1572.1Langkilde, A.; Madsen, D.; Larsen, S.
Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion
Acta Crystallographica Section B, 2004, 60, 502-511
2102639 CIF
Paper
C11 H20 N2P b 21 a11.279; 20.634; 19.542
90; 90; 90
4548Sobolev, Alexandre N.; White, Allan H.
Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K
Acta Crystallographica Section B, 2004, 60, 621-625
2102640 CIF
Paper
C11 H20 N2P b 21 a11.366; 20.654; 19.723
90; 90; 90
4630Sobolev, Alexandre N.; White, Allan H.
Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K
Acta Crystallographica Section B, 2004, 60, 621-625
2102641 CIF
Paper
C11 H20 N2P b c a11.356; 20.637; 9.85
90; 90; 90
2308.4Sobolev, Alexandre N.; White, Allan H.
Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K
Acta Crystallographica Section B, 2004, 60, 621-625
2102642 CIF
Paper
C11 H20 N2P b c a11.482; 21.13; 9.992
90; 90; 90
2424.2Sobolev, Alexandre N.; White, Allan H.
Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K
Acta Crystallographica Section B, 2004, 60, 621-625
2102643 CIF
Paper
Cr2 K2 O7P -17.3837; 7.4622; 13.3949
96.204; 98.046; 90.943
726.12Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.
Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II
Acta Crystallographica, Section B: Structural Science, 2004, 60, 705-715
2102644 CIF
Paper
Cr2 K2 O7P -17.3807; 7.4593; 13.391
96.205; 98.033; 90.914
725.37Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.
Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II
Acta Crystallographica, Section B: Structural Science, 2004, 60, 705-715
2102645 CIF
Paper
C12 H8 Br2 OC c c 226.645; 7.6902; 5.7223
90; 90; 90
1172.5Eriksson, Lars; Eriksson, Johan; Hu, Jiwei
Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data
Acta Crystallographica Section B, 2004, 60, 734-738

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