Information card for entry 4103792

Structure parameters

• Formula: C18 H27 I O4
• Calculated formula: C18 H27 I O4
• SMILES: I[C@@H]1[C@@H](C1(C)C)[C@@H](OC(=O)[C@]12OC(=O)[C@](CC1)(C2(C)C)C)CC
• Title of publication: Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols
• Authors of publication: Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 954 - 962
• a: 6.094 ± 0.006 Å
• b: 15.229 ± 0.014 Å
• c: 20.355 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1889 ± 3 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: 0.0243
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No