Information card for entry 2219991

Structure parameters

• Chemical name: 1,1-Bis(4-fluorophenyl)-3,4-dihydro-1<i>H</i>-1,3-oxazino[3,4-<i>a</i>]indole
• Formula: C23 H17 F2 N O
• Calculated formula: C23 H17 F2 N O
• SMILES: Fc1ccc(C2(OCCc3n2c2c(c3)cccc2)c2ccc(F)cc2)cc1
• Title of publication: 1,1-Bis(4-fluorophenyl)-3,4-dihydro-1<i>H</i>-1,3-oxazino[3,4-<i>a</i>]indole
• Authors of publication: Fu, Weijun; Deng, Dongsheng; Hong, Dongfeng; Wang, Zhiqiang; Ji, Baoming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2227
• a: 10.9845 ± 0.0011 Å
• b: 11.2002 ± 0.0011 Å
• c: 15.1964 ± 0.0016 Å
• α: 87.615 ± 0.001°
• β: 80.751 ± 0.001°
• γ: 76.99 ± 0.001°
• Cell volume: 1797.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.106
• 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