Information card for entry 2006105

Structure parameters

• Chemical name: meso-dimethyl-bis([2.2]paracyclophan-4-yl)silane
• Formula: C34 H36 Si
• Calculated formula: C34 H36 Si
• SMILES: [Si](c1c2CCc3ccc(CCc(c1)cc2)cc3)(C)(C)c1c2CCc3ccc(CCc(c1)cc2)cc3
• Title of publication: A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane
• Authors of publication: Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 612 - 615
• a: 11.115 ± 0.002 Å
• b: 15.077 ± 0.003 Å
• c: 17.182 ± 0.003 Å
• α: 65.191 ± 0.012°
• β: 87.299 ± 0.01°
• γ: 79.709 ± 0.012°
• Cell volume: 2570.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 0.788
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No