Information card for entry 7160090

Structure parameters

• Common name: trans-3
• Chemical name: trans-difluorodimethyldisilacyclodocosane
• Formula: C22 H46 F2 Si2
• Calculated formula: C22 H46 F2 Si2
• Title of publication: Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.
• Authors of publication: Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 6950 - 6954
• a: 5.8392 ± 0.0002 Å
• b: 10.0661 ± 0.0003 Å
• c: 11.6107 ± 0.0004 Å
• α: 88.902 ± 0.001°
• β: 75.577 ± 0.001°
• γ: 78.905 ± 0.001°
• Cell volume: 648.29 ± 0.04 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No