Information card for entry 2006106

Structure parameters

• Chemical name: chiral 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: 13.941 ± 0.002 Å
• b: 17.694 ± 0.002 Å
• c: 10.4379 ± 0.0014 Å
• α: 90°
• β: 93.089 ± 0.01°
• γ: 90°
• Cell volume: 2571 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.1034
• Goodness-of-fit parameter for all reflections: 0.92
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No