Information card for entry 8101528

Structure parameters

• Formula: C19 H23 N O7
• Calculated formula: C19 H23 N O7
• SMILES: N1(OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H]12)OC(=O)C)OC(=O)C)OC(=O)C)Cc1ccccc1
• Title of publication: Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-triacetoxy-1-benzyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~19~H~23~NO~7~
• Authors of publication: Henkel, Sonja; Kuban, Juraij; Pruschek, Petra; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 401 - 402
• a: 8.297 ± 0.004 Å
• b: 9.266 ± 0.004 Å
• c: 25.173 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1602
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No