Information card for entry 2007653

Structure parameters

• Chemical name: (3R,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one
• Formula: C27 H24 N2 O6 S
• Calculated formula: C27 H24 N2 O6 S
• SMILES: C1(=O)N([C@@H]([C@@]21N(C[C@@H](C2)OC(=O)C)C(=O)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate
• Authors of publication: Alessandra Forni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1320 - 1322
• a: 6.237 ± 0.001 Å
• b: 18.928 ± 0.002 Å
• c: 21.321 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No