Information card for entry 2241230

Structure parameters

• Chemical name: 3,4'-Diphenyl-3'-<i>p</i>-tolyl-4'<i>H</i>-spiro[indan-2,5'-[1,2]oxazol]-1-one
• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• SMILES: c12ccccc1C(=O)[C@@]1([C@@H]2c2ccccc2)[C@@H](C(c2ccc(cc2)C)=NO1)c1ccccc1.c12ccccc1C(=O)[C@]1([C@H]2c2ccccc2)[C@H](C(c2ccc(cc2)C)=NO1)c1ccccc1
• Title of publication: Crystal structure of 3,4'-diphenyl-3'-<i>p</i>-tolyl-4'<i>H</i>-spiro[indan-2,5'-[1,2]oxazol]-1-one
• Authors of publication: Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o873 - o874
• a: 9.7381 ± 0.0007 Å
• b: 20.5072 ± 0.0014 Å
• c: 11.8261 ± 0.0008 Å
• α: 90°
• β: 102.836 ± 0.002°
• γ: 90°
• Cell volume: 2302.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes