Information card for entry 7706180

Structure parameters

• Formula: C83 H118 N2 O5 Si
• Calculated formula: C83 H118 N2 O5 Si
• Title of publication: Cleavage of C-O and C-H bonds in ethers by a genuine Si[double bond, length as m-dash]O bond.
• Authors of publication: Kobayashi, Ryo; Ishida, Shintaro; Iwamoto, Takeaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1413 - 1421
• a: 17.7199 ± 0.0008 Å
• b: 18.1911 ± 0.0008 Å
• c: 26.3896 ± 0.0011 Å
• α: 90°
• β: 99.456 ± 0.001°
• γ: 90°
• Cell volume: 8391 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.126
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No