Information card for entry 2221692

Structure parameters

• Chemical name: 5-(4-Bromophenyl)-1,2,3,4-tetrahydrobenzo[<i>a</i>]phenanthridine
• Formula: C23 H18 Br N
• Calculated formula: C23 H18 Br N
• SMILES: Brc1ccc(c2nc3c(c4c2CCCC4)c2c(cc3)cccc2)cc1
• Title of publication: 5-(4-Bromophenyl)-1,2,3,4-tetrahydrobenzo[<i>a</i>]phenanthridine
• Authors of publication: Xie, Heng-Shen; Zhang, Ai-Ling; Su, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1074
• a: 5.66 ± 0.003 Å
• b: 11.596 ± 0.006 Å
• c: 13.869 ± 0.006 Å
• α: 78.48 ± 0.03°
• β: 78.3 ± 0.03°
• γ: 85.15 ± 0.03°
• Cell volume: 872.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1211
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes