Information card for entry 7247532

Structure parameters

• Formula: C40 H44 O12 S2
• Calculated formula: C40 H44 O12 S2
• Title of publication: Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes
• Authors of publication: Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 9086 - 9091
• a: 5.7239 ± 0.0002 Å
• b: 16.0544 ± 0.0004 Å
• c: 20.5787 ± 0.0007 Å
• α: 94.727 ± 0.002°
• β: 94.995 ± 0.003°
• γ: 90.152 ± 0.002°
• Cell volume: 1877.37 ± 0.1 ų
• Cell temperature: 100 ± 5 K
• Ambient diffraction temperature: 100 ± 5 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: 0.1966
• Residual factor for significantly intense reflections: 0.1794
• Weighted residual factors for significantly intense reflections: 0.4517
• Weighted residual factors for all reflections included in the refinement: 0.4613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No