Information card for entry 2200977

Structure parameters

• Chemical name: (2-bromophenyl)diphenylphosphine
• Formula: C18 H14 Br P
• Calculated formula: C18 H14 Br P
• SMILES: Brc1c(P(c2ccccc2)c2ccccc2)cccc1
• Title of publication: (2-Bromophenyl)diphenylphosphine
• Authors of publication: Michael L. Williams; Cassandra L. Noack; Rodney J. Saverin; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o306 - o307
• a: 10.371 ± 0.005 Å
• b: 8.9735 ± 0.0019 Å
• c: 16.556 ± 0.006 Å
• α: 90°
• β: 92.33 ± 0.04°
• γ: 90°
• Cell volume: 1539.5 ± 1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.122
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes