Information card for entry 2201943

Structure parameters

• Chemical name: 4',5a'-Diphenyl-10-oxospiro[phenanthrene[9,2']oxeto[5,4-b]oxazole]
• Formula: C29 H19 N O3
• Calculated formula: C29 H19 N O3
• SMILES: O1C(=N[C@H]2[C@@]1(O[C@@]12C(=O)c2ccccc2c2ccccc12)c1ccccc1)c1ccccc1.O1C(=N[C@@H]2[C@]1(O[C@]12C(=O)c2ccccc2c2ccccc12)c1ccccc1)c1ccccc1
• Title of publication: 4',5a'-Diphenyl-10-oxospiro[phenanthrene[9,2']oxeto[5,4-<i>b</i>]oxazole]
• Authors of publication: Lei Wang; Anwar Usman; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o721 - o722
• a: 8.3475 ± 0.0004 Å
• b: 11.8671 ± 0.0006 Å
• c: 11.9106 ± 0.0006 Å
• α: 74.148 ± 0.001°
• β: 89.736 ± 0.001°
• γ: 72.344 ± 0.001°
• Cell volume: 1077.59 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes