Information card for entry 2007274

Structure parameters

• Chemical name: 1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole oxide
• Formula: C12 H13 Br2 O P
• Calculated formula: C12 H13 Br2 O P
• SMILES: Br[C@H]1P(=O)([C@@H](Br)C(=C1C)C)c1ccccc1
• Title of publication: Key Intermediates in the Synthesis of 2,2'-Biphosphole
• Authors of publication: Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 676 - 679
• a: 14.135 ± 0.002 Å
• b: 9.884 ± 0.001 Å
• c: 10.877 ± 0.001 Å
• α: 90.01 ± 0.01°
• β: 118.95 ± 0.01°
• γ: 90.004 ± 0.001°
• Cell volume: 1329.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.0727
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No