Information card for entry 2222866

Structure parameters

• Chemical name: 2-Benzyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Formula: C31 H25 N O
• Calculated formula: C31 H25 N O
• SMILES: O1[C@H](c2ccccc2)N([C@H](c2c3ccccc3ccc12)c1ccccc1)Cc1ccccc1.O1[C@@H](c2ccccc2)N([C@@H](c2c3ccccc3ccc12)c1ccccc1)Cc1ccccc1
• Title of publication: 2-Benzyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Authors of publication: Zhang, Yuan; Li, Yong Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1796
• a: 9.0605 ± 0.0018 Å
• b: 23.475 ± 0.005 Å
• c: 10.634 ± 0.002 Å
• α: 90°
• β: 97.53 ± 0.03°
• γ: 90°
• Cell volume: 2242.3 ± 0.8 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: 0.0991
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes