Information card for entry 1519503

Structure parameters

• Formula: C33 H25 Br N O2 P
• Calculated formula: C33 H25 Br N O2 P
• SMILES: [Br-].c1(cc(C)c(c2C(=O)c3ccccc3C(=O)c12)N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: C33H25BrNO2P
• Authors of publication: Allen, David W.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 878
• a: 26.86 ± 0.003 Å
• b: 10.0338 ± 0.0009 Å
• c: 22.976 ± 0.003 Å
• α: 90°
• β: 124.152 ± 0.011°
• γ: 90°
• Cell volume: 5124.4 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No