Information card for entry 2200933

Structure parameters

• Chemical name: 1-Acetyl-2-oxo-4'-methyl-2'a-phenylspiro[3H-indole-3,2'(2'aH,5'aH)oxeto [3,2-d]oxazole]
• Formula: C20 H16 N2 O4
• Calculated formula: C20 H16 N2 O4
• SMILES: O=C1N(c2ccccc2[C@@]21O[C@@H]1OC(=N[C@]21c1ccccc1)C)C(=O)C.O=C1N(c2ccccc2[C@]21O[C@H]1OC(=N[C@@]21c1ccccc1)C)C(=O)C
• Title of publication: 1-Acetyl-2-oxo-4'-methyl-2a'-phenylspiro[3<i>H</i>-indole-3,2'(2a'<i>H</i>,5a'<i>H</i>)-oxeto[3,2-<i>d</i>]oxazole]
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o145 - o147
• a: 9.2852 ± 0.0002 Å
• b: 9.5994 ± 0.0004 Å
• c: 10.6206 ± 0.0005 Å
• α: 67.323 ± 0.001°
• β: 73.287 ± 0.001°
• γ: 84.761 ± 0.001°
• Cell volume: 836.35 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes