Information card for entry 4350146

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: 17.8482 ± 0.0016 Å
• b: 9.6996 ± 0.0009 Å
• c: 16.4619 ± 0.0014 Å
• α: 90°
• β: 111.385 ± 0.001°
• γ: 90°
• Cell volume: 2653.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No