Information card for entry 2219682

Structure parameters

• Chemical name: 2-Butyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Formula: C28 H27 N O
• Calculated formula: C28 H27 N O
• SMILES: c12c(c3c(cc1)cccc3)[C@@H](c1ccccc1)N([C@H](c1ccccc1)O2)CCCC.c12c(c3c(cc1)cccc3)[C@H](c1ccccc1)N([C@@H](c1ccccc1)O2)CCCC
• Title of publication: 2-Butyl-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Authors of publication: Li, Yong Hua; Zhao, Min Min; Zhang, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1972
• a: 8.8959 ± 0.0015 Å
• b: 10.7589 ± 0.0016 Å
• c: 11.8401 ± 0.0018 Å
• α: 96.219 ± 0.001°
• β: 98.366 ± 0.002°
• γ: 97.274 ± 0.002°
• Cell volume: 1102.8 ± 0.3 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: 0.128
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes