Information card for entry 2231033

Structure parameters

• Chemical name: 6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine
• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: C=CCc1cc2CN(COc2c(c1)OC)c1ccccc1
• Title of publication: 6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine
• Authors of publication: Zhu, Jing; Ren, Zhi-Dong; Liu, Yang; Zhao, Lei; Wu, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2056
• a: 8.4087 ± 0.0005 Å
• b: 9.4852 ± 0.0005 Å
• c: 10.7735 ± 0.0007 Å
• α: 99.193 ± 0.005°
• β: 98.9 ± 0.005°
• γ: 115.476 ± 0.006°
• Cell volume: 741.3 ± 0.09 ų
• Cell temperature: 291.15 K
• Ambient diffraction temperature: 291.15 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: 0.0536
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes