Information card for entry 7152889

Structure parameters

• Formula: C30 H36 O7 S2
• Calculated formula: C30 H36 O7 S2
• SMILES: S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)[C@H]2[C@@H](OC(=O)C2=CCC1)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)c1ccccc1
• Title of publication: Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
• Authors of publication: Sreedharan, Dinesh T.; Clive, Derrick L. J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3128 - 3144
• a: 9.6394 ± 0.0003 Å
• b: 13.2527 ± 0.0004 Å
• c: 22.5332 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2878.57 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No