Information card for entry 7238935

Structure parameters

• Formula: C48 H39 Br3 O13
• Calculated formula: C48 H39 Br3 O13
• Title of publication: Swietemahalactone, a rearranged phragmalin-type limonoid with anti-bacterial effect, from Swietenia mahagoni
• Authors of publication: Liu, Jie-Qing; Peng, Xing-Rong; Zhang, Wei-Ming; Shi, Lei; Li, Xu-Yang; Chen, Jian-Chao; Qiu, Ming-Hua
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 4890
• a: 11.446 ± 0.002 Å
• b: 14.77 ± 0.003 Å
• c: 14.492 ± 0.002 Å
• α: 90°
• β: 96.015 ± 0.003°
• γ: 90°
• Cell volume: 2436.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No