Information card for entry 2213725

Structure parameters

• Chemical name: 2,2-Dimethyl-5-phenyl-4-oxa-1-aza-6,7:8,9-dibenzobicyclo[3.2.2]nonane
• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: c1ccccc1C12c3c(cccc3)N(C(CO2)(C)C)c2ccccc12
• Title of publication: 2,2-Dimethyl-5-phenyl-4-oxa-1-aza-6,7:8,9-dibenzobicyclo[3.2.2]nonane
• Authors of publication: Wang, Min; Xu, Jing; Su, Wei-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2794 - o2794
• a: 15.707 ± 0.006 Å
• b: 9.227 ± 0.004 Å
• c: 12.198 ± 0.005 Å
• α: 90°
• β: 101.575 ± 0.006°
• γ: 90°
• Cell volume: 1731.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes