Information card for entry 1546716

Structure parameters

• Chemical name: 3,5-Dimethoxyphenyl 4-methylbenzenesulfonate
• Formula: C15 H16 O5 S
• Calculated formula: C15 H16 O5 S
• Title of publication: 3,5-Dimethoxyphenyl 4-methylbenzenesulfonate
• Authors of publication: Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x170980
• a: 7.8066 ± 0.0002 Å
• b: 8.9238 ± 0.0002 Å
• c: 11.9303 ± 0.0003 Å
• α: 106.583 ± 0.002°
• β: 94.701 ± 0.002°
• γ: 111.358 ± 0.002°
• Cell volume: 725.58 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes