Information card for entry 7128699

Structure parameters

• Formula: C22 H20 O
• Calculated formula: C22 H20 O
• SMILES: O(c1ccc([C@]2(C[C@@H]2c2ccccc2)c2ccccc2)cc1)C.O(c1ccc([C@@]2(C[C@H]2c2ccccc2)c2ccccc2)cc1)C
• Title of publication: Tertiary cyclopropyl carbagermatranes: synthesis and cross-coupling.
• Authors of publication: Yang, Shuo; Jiang, Wei-Tao; Xiao, Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 66
• Pages of publication: 8143 - 8146
• a: 32.854 ± 0.006 Å
• b: 5.8699 ± 0.0012 Å
• c: 34.286 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6612 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2265
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.3178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No