Information card for entry 2202524

Structure parameters

• Chemical name: 1-Acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1H-indole-3,2'- oxeto[5,4-b]oxazol]-2(3H)-one
• Formula: C25 H18 N2 O4
• Calculated formula: C25 H18 N2 O4
• SMILES: O1C(=N[C@@H]2[C@]1(O[C@]12c2ccccc2N(C1=O)C(=O)C)c1ccccc1)c1ccccc1.O1C(=N[C@H]2[C@@]1(O[C@@]12c2ccccc2N(C1=O)C(=O)C)c1ccccc1)c1ccccc1
• Title of publication: 1-Acetyl-4',5'a-diphenyl-2',2'a,5',5'a-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one
• Authors of publication: Xue-Mei Li; Lei Wang; Jian-Hua Xu; Shu-Sheng Zhang; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1883 - o1885
• a: 16.1912 ± 0.001 Å
• b: 10.3984 ± 0.0006 Å
• c: 12.6742 ± 0.0008 Å
• α: 90°
• β: 107.432 ± 0.001°
• γ: 90°
• Cell volume: 2035.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes