Information card for entry 7160533

Structure parameters

• Formula: C15 H19 Br O3
• Calculated formula: C15 H19 Br O3
• Title of publication: Divergent synthetic studies towards bisabosqual A and fargenone B <i>via</i> an intramolecular S_N2 reaction.
• Authors of publication: Guo, Chen; Zhu, Mao-Mei; Ze Lang, Si-Ji; Wang, Ya-Wen; Xiao, Jian; Peng, Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5298 - 5300
• a: 21.8523 ± 0.0012 Å
• b: 5.1108 ± 0.0004 Å
• c: 25.9585 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No