Information card for entry 2230471

Structure parameters

• Chemical name: Bis(2,6-diisopropylphenyl) sulfite
• Formula: C24 H34 O3 S
• Calculated formula: C24 H34 O3 S
• SMILES: CC(c1cccc(c1OS(=O)Oc1c(cccc1C(C)C)C(C)C)C(C)C)C
• Title of publication: Bis(2,6-diisopropylphenyl) sulfite
• Authors of publication: Zhang, Jing-Yu; Hou, Xuehui; Wang, Zheguang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1493
• a: 14.2083 ± 0.0015 Å
• b: 16.3332 ± 0.0017 Å
• c: 10.1321 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes