Information card for entry 1561479

Structure parameters

• Chemical name: Chloropentaphenyldisiloxane
• Formula: C30 H25 Cl O Si2
• Calculated formula: C30 H25 Cl O Si2
• SMILES: [Si](O[Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane
• Authors of publication: Bauer, Jonathan O.; Götz, Tobias
• Journal of publication: Chemistry
• Year of publication: 2021
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 444 - 453
• a: 10.6741 ± 0.0002 Å
• b: 14.2858 ± 0.0002 Å
• c: 17.5012 ± 0.0003 Å
• α: 90°
• β: 99.597 ± 0.002°
• γ: 90°
• Cell volume: 2631.37 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.39222 Å
• Diffraction radiation type: CuKβ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No