Information card for entry 7159584

Structure parameters

• Formula: C26 H20 Br N O5
• Calculated formula: C26 H20 Br N O5
• Title of publication: Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.
• Authors of publication: Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8279 - 8283
• a: 8.7254 ± 0.0005 Å
• b: 11.1393 ± 0.0006 Å
• c: 12.4388 ± 0.0007 Å
• α: 85.519 ± 0.002°
• β: 73.196 ± 0.002°
• γ: 87.607 ± 0.002°
• Cell volume: 1153.59 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 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: 0.0431
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No