Information card for entry 4350145

Structure parameters

• Formula: C31 H29 Br2 P
• Calculated formula: C31 H29 Br2 P
• SMILES: Brc1cc(c(P=Cc2ccc(Br)cc2)c(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Photochemical E-Z isomerization of meta-terphenyl-protected phosphaalkenes and structural characterizations.
• Authors of publication: Gudimetla, Vittal B.; Rheingold, Arnold L.; Payton, John L.; Peng, Huo-Lei; Simpson, M. Cather; Protasiewicz, John D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 4895 - 4901
• a: 25.924 ± 0.0017 Å
• b: 32.412 ± 0.002 Å
• c: 13.2616 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11143 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No