Information card for entry 4115975

Structure parameters

• Formula: C18 H42 Si6
• Calculated formula: C18 H42 Si6
• SMILES: [Si]12([Si](C)(C(=C1[Si](C)(C)C)[Si](C)(C)C)C(=C2[Si](C)(C)C)[Si](C)(C)C)C
• Title of publication: 1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s
• Authors of publication: Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 3775 - 3776
• a: 17.7265 ± 0.0013 Å
• b: 10.5224 ± 0.0006 Å
• c: 15.627 ± 0.002 Å
• α: 90°
• β: 102.627 ± 0.002°
• γ: 90°
• Cell volume: 2844.3 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• 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: 0.072
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections: 3.766
• Goodness-of-fit parameter for all reflections included in the refinement: 3.77
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No