Information card for entry 1556479

Structure parameters

• Formula: C32 H27 Br P2
• Calculated formula: C32 H27 Br P2
• SMILES: Brc1c(cccc1CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
• Title of publication: Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium
• Authors of publication: Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.
• Journal of publication: Inorganics
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 39
• a: 9.3025 ± 0.0003 Å
• b: 10.1879 ± 0.0004 Å
• c: 15.2499 ± 0.0006 Å
• α: 104.318 ± 0.002°
• β: 106.891 ± 0.002°
• γ: 95.661 ± 0.002°
• Cell volume: 1317.12 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No