Information card for entry 2010606

Structure parameters

• Chemical name: meso-bis([2.2]paracyclophan-4-yl)sulfide
• Formula: C32 H30 S
• Calculated formula: C32 H30 S
• SMILES: S(c1c2CCc3ccc(CCc(c1)cc2)cc3)c1c2CCc3ccc(CCc(c1)cc2)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: 8.1084 ± 0.0012 Å
• b: 12.334 ± 0.002 Å
• c: 12.826 ± 0.002 Å
• α: 94.525 ± 0.012°
• β: 105.516 ± 0.012°
• γ: 105.779 ± 0.008°
• Cell volume: 1173.4 ± 0.3 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: 0.0785
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.0813
• Goodness-of-fit parameter for all reflections: 0.817
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes