Information card for entry 8101083

Structure parameters

• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• SMILES: C(C)O[C@@H]1[C@H]([C@@H](C(=NO1)c1ccccc1)[C@H](c1ccccc1)O)c1ccccc1.C(C)O[C@H]1[C@@H]([C@H](C(=NO1)c1ccccc1)[C@@H](c1ccccc1)O)c1ccccc1
• Title of publication: Crystal structure of (4S*,5R*,6S*)-6-ethoxy-4-[(1R*)-(1-hydroxy-1- phenyl)methyl]-3,5-diphenyl-5,6-dihydro-4H-1,2-oxazine, C~25~H~25~NO~3~
• Authors of publication: Hartl, H.; Brüdgam, I.; Reissig, H.-U.; Buchholz, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 591 - 592
• a: 7.8805 ± 0.0005 Å
• b: 9.5857 ± 0.0006 Å
• c: 14.4571 ± 0.0009 Å
• α: 75.401 ± 0.001°
• β: 89.526 ± 0.001°
• γ: 82.481 ± 0.001°
• Cell volume: 1047.4 ± 0.11 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No