Information card for entry 2202621

Structure parameters

• Chemical name: 1,5-bis(benzylsulfonyl)-pentane
• Formula: C19 H24 O4 S2
• Calculated formula: C19 H24 O4 S2
• Title of publication: 1,5-Bis(benzylsulfonyl)pentane
• Authors of publication: Jian-Rong Li; Ruo-Hua Zhang; Xian-He Bu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1738 - o1739
• a: 38.562 ± 0.013 Å
• b: 4.7679 ± 0.0016 Å
• c: 10.344 ± 0.004 Å
• α: 90°
• β: 103.357 ± 0.006°
• γ: 90°
• Cell volume: 1850.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes