Information card for entry 2216846

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
• Formula: C24 H17 Cl2 N O
• Calculated formula: C24 H17 Cl2 N O
• SMILES: c12c(ccc3c1cccc3)O[C@@H](c1c(cc(cc1)Cl)Cl)N[C@H]2c1ccccc1.c12c(ccc3c1cccc3)O[C@H](c1c(cc(cc1)Cl)Cl)N[C@@H]2c1ccccc1
• Title of publication: 3-(2,4-Dichlorophenyl)-1-phenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu; Chen Yu-Zhen; Feng Yu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4781 - o4781
• a: 6.664 ± 0.003 Å
• b: 8.224 ± 0.003 Å
• c: 18.106 ± 0.007 Å
• α: 92.269 ± 0.006°
• β: 99.42 ± 0.005°
• γ: 98.624 ± 0.006°
• Cell volume: 965.8 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes