Information card for entry 2214329

Structure parameters

• Chemical name: 2-Benzyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: c12ccc3ccccc3c1CN(CO2)Cc1ccccc1
• Title of publication: 2-Benzyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Authors of publication: Xu-Hong Yang; Xiu-Ling Chen; Xiang-Ju Diao; Ming-Hu Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3312 - o3312
• a: 9.8645 ± 0.0011 Å
• b: 5.2515 ± 0.0006 Å
• c: 27.811 ± 0.003 Å
• α: 90°
• β: 98.716 ± 0.001°
• γ: 90°
• Cell volume: 1424.1 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1148
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes