Information card for entry 8105224

Structure parameters

• Formula: C16 H15 Bi O3
• Calculated formula: C16 H15 Bi O3
• Title of publication: Crystal structure of 5H-dibenzo[c,f][1,5]oxabismocin-12 (7H)-yl acetate, C16H15O3Bi
• Authors of publication: Tan, Nianyuan; Wu, Shuisheng; Lan, Donghui; Au, Chak-Tong; Yi, Bing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 579 - 581
• a: 17.277 ± 0.003 Å
• b: 4.7288 ± 0.0008 Å
• c: 17.776 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0327
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No