Information card for entry 7052180

Structure parameters

• Formula: C23 H29 P Si2
• Calculated formula: C23 H29 P Si2
• SMILES: p1c([Si](C)(C)C)c(cc(c1[Si](C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Experimental and theoretical study of phosphinine sulfides
• Authors of publication: Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 1493
• a: 12.081 ± 0.001 Å
• b: 17.513 ± 0.001 Å
• c: 12.328 ± 0.001 Å
• α: 90°
• β: 118.022 ± 0.001°
• γ: 90°
• Cell volume: 2302.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No