Information card for entry 7040971

Structure parameters

• Formula: C20 H13 Br2 P
• Calculated formula: C20 H13 Br2 P
• SMILES: BrC1=C(P(c2c1cccc2)c1ccccc1)c1c(Br)cccc1
• Title of publication: Phosphorus and silicon-bridged stilbenes: synthesis and optoelectronic properties.
• Authors of publication: Zhou, Yang; Yang, Shuai; Li, Jun; He, Gufeng; Duan, Zheng; Mathey, Francois
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18308 - 18312
• a: 9.4831 ± 0.0003 Å
• b: 10.0989 ± 0.0003 Å
• c: 10.6905 ± 0.0004 Å
• α: 100.852 ± 0.001°
• β: 108.66 ± 0.001°
• γ: 110.136 ± 0.001°
• Cell volume: 857.93 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0227
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No