Information card for entry 4128453

Structure parameters

• Formula: C10 H18 B Cl O2
• Calculated formula: C10 H18 B Cl O2
• SMILES: Cl[C@@H]1C([C@@H]2CB(O[C@]2(CC1)C)O)(C)C.Cl[C@H]1C([C@H]2CB(O[C@@]2(CC1)C)O)(C)C
• Title of publication: Enantioselective Synthesis of Azamerone.
• Authors of publication: Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 2867 - 2871
• a: 7.339 ± 0.0007 Å
• b: 7.6739 ± 0.0007 Å
• c: 11.4931 ± 0.001 Å
• α: 105.065 ± 0.002°
• β: 95.119 ± 0.002°
• γ: 114.634 ± 0.002°
• Cell volume: 553.57 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No