Information card for entry 2225062

Structure parameters

• Chemical name: Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(methanesulfonate)
• Formula: C11 H18 O6 S2
• Calculated formula: C11 H18 O6 S2
• SMILES: S(=O)(=O)(OC12CC3CC(CC1(OS(=O)(=O)C)C3)C2)C
• Title of publication: Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(methanesulfonate)
• Authors of publication: Ioannou, Savvas; Nicolaides, Athanassios V.; Manos, Manolis J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o409
• a: 8.8017 ± 0.0002 Å
• b: 10.3107 ± 0.0002 Å
• c: 14.4623 ± 0.0003 Å
• α: 90°
• β: 92.092 ± 0.002°
• γ: 90°
• Cell volume: 1311.6 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes