Information card for entry 4133722

Structure parameters

• Formula: C22 H40 Si6
• Calculated formula: C22 H40 Si6
• SMILES: c1(ccccc1)[Si@@]1(C)[Si@](c2ccccc2)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C
• Title of publication: Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.
• Authors of publication: Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 44
• Pages of publication: 17926 - 17936
• a: 14.3961 ± 0.0005 Å
• b: 14.4414 ± 0.0003 Å
• c: 27.9432 ± 0.0007 Å
• α: 90°
• β: 103.685 ± 0.003°
• γ: 90°
• Cell volume: 5644.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No