Information card for entry 2010604

Structure parameters

• Chemical name: chiral bis([2.2]paracyclophan-4-yl)methane
• Formula: C33 H32
• Calculated formula: C33 H32
• SMILES: c1cc2CCc3ccc(CCc1cc2Cc1cc2ccc1CCc1ccc(CC2)cc1)cc3
• Title of publication: Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide
• Authors of publication: Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 239 - 241
• a: 24.928 ± 0.003 Å
• b: 7.8409 ± 0.0006 Å
• c: 11.5716 ± 0.0012 Å
• α: 90°
• β: 92.256 ± 0.008°
• γ: 90°
• Cell volume: 2260 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.1207
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes