Information card for entry 2103123

Structure parameters

• Formula: C24 H54 O3 Si3
• Calculated formula: C24 H54 O3 Si3
• SMILES: C(C)([Si]1(O[Si](C(C)(C)C)(O[Si](C(C)(C)C)(O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: Refinement of obverse/reverse twins
• Authors of publication: Herbst-Irmer, Regine; Sheldrick, George M.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 477 - 481
• a: 10.0793 ± 0.0007 Å
• b: 10.0793 ± 0.0007 Å
• c: 48.409 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4259.1 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No