Information card for entry 4113315

Structure parameters

• Common name: 1-aquo-5-carbasilatrane
• Formula: C38 H55 O5 Si
• Calculated formula: C38 H55 O5 Si
• Title of publication: Water-Coordinated Neutral Silane Complex: A Frozen Intermediate of Hydrolysis of Alkoxysilanes
• Authors of publication: Junji Kobayashi; Keiko Kawaguchi; Takayuki Kawashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16318 - 16319
• a: 10.451 ± 0.003 Å
• b: 20.497 ± 0.006 Å
• c: 16.753 ± 0.005 Å
• α: 90 ± 0.0011°
• β: 90.3493 ± 0.0011°
• γ: 90 ± 0.0011°
• Cell volume: 3588.7 ± 1.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0665
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No