Information card for entry 2238477

Structure parameters

• Chemical name: Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate)
• Formula: C23 H26 O6 S2
• Calculated formula: C23 H26 O6 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@]12C[C@H]3C[C@@]2(C[C@@H](C1)C3)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate)
• Authors of publication: Ioannou, Savvas; Moushi, Eleni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1464 - o1465
• a: 22.3068 ± 0.0008 Å
• b: 7.5667 ± 0.0002 Å
• c: 12.7114 ± 0.0005 Å
• α: 90°
• β: 98.837 ± 0.004°
• γ: 90°
• Cell volume: 2120.07 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes