Information card for entry 4086131

Structure parameters

• Formula: C26 H25 O P Se Si
• Calculated formula: C26 H25 O P Se Si
• SMILES: O[Si](C)(C)c1c2c3c(ccc2P(=[Se])(c2ccccc2)c2ccccc2)CCc3cc1
• Title of publication: Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols
• Authors of publication: Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3873
• a: 14.6073 ± 0.0006 Å
• b: 16.9212 ± 0.0007 Å
• c: 18.4091 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4550.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No