Information card for entry 2013335

Structure parameters

• Chemical name: 1-Acetyl-4',5a'-diphenylspiro[indole-3,2'-(2'H,5'H)oxeto[5,4-b]oxazol]-2(1H)- one
• Formula: C25 H18 N2 O4
• Calculated formula: C25 H18 N2 O4
• SMILES: O1[C@@]2(c3ccccc3N(C2=O)C(=O)C)[C@H]2N=C(O[C@@]12c1ccccc1)c1ccccc1.O1[C@]2(c3ccccc3N(C2=O)C(=O)C)[C@@H]2N=C(O[C@]12c1ccccc1)c1ccccc1
• Title of publication: 1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one
• Authors of publication: Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o305 - o307
• a: 12.7908 ± 0.001 Å
• b: 8.7717 ± 0.0007 Å
• c: 17.8346 ± 0.0013 Å
• α: 90°
• β: 94.515 ± 0.002°
• γ: 90°
• Cell volume: 1994.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes