Information card for entry 4067434

Structure parameters

• Formula: C54 H44 O2 P2 Si
• Calculated formula: C54 H44 O2 P2 Si
• SMILES: [Si]1(C(=C(C(=C1c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1)c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1)(C)C
• Title of publication: Preparation and Photophysical Properties of Phosphino- and Phosphine Oxide-Linked Siloles
• Authors of publication: Braddock-Wilking, Janet; Gao, Li-Bin; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1612
• a: 11.5999 ± 0.0013 Å
• b: 16.7822 ± 0.0019 Å
• c: 44.176 ± 0.005 Å
• α: 90°
• β: 97.087 ± 0.007°
• γ: 90°
• Cell volume: 8534.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1835
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No