Information card for entry 4125961

Structure parameters

• Formula: C11 H11 Br O2
• Calculated formula: C11 H11 Br O2
• Title of publication: Total Syntheses of Highly Oxidized ent-Kaurenoids Pharicin A, Pharicinin B, 7-O-Acetylpseurata C, and Pseurata C: A [5+2] Cascade Approach.
• Authors of publication: He, Chi; Hu, Jialei; Wu, Yubing; Ding, Hanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6098 - 6101
• a: 13.444 ± 0.002 Å
• b: 8.2879 ± 0.0009 Å
• c: 9.681 ± 0.0018 Å
• α: 90°
• β: 110.73 ± 0.02°
• γ: 90°
• Cell volume: 1008.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No