Information card for entry 7156810

Structure parameters

• Formula: C30 H24 O2 S
• Calculated formula: C30 H24 O2 S
• Title of publication: N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions.
• Authors of publication: Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4700 - 4704
• a: 7.6174 ± 0.0003 Å
• b: 26.721 ± 0.0013 Å
• c: 34.0314 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6926.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No