Information card for entry 1540737

Structure parameters

• Formula: C10 H17 Br O4
• Calculated formula: C10 H17 Br O4
• SMILES: [C@@]1([C@](Br)([C@@H]1C)C(OC)OC)(C(=O)O)CC
• Title of publication: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters Catalyzed by Chiral Oxazaborolidinium Ion: Total Synthesis of (+)-Hamavellone B.
• Authors of publication: Shim, Su Yong; Kim, Jae Yeon; Nam, Miso; Hwang, Geum-Sook; Ryu, Do Hyun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 160 - 163
• a: 8.8043 ± 0.0013 Å
• b: 11.5507 ± 0.0016 Å
• c: 24.957 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2538 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No