Information card for entry 1570970

Structure parameters

• Formula: C28.5 H22 N O2.5
• Calculated formula: C28.5 H22 N O2.5
• Title of publication: Organocatalytic enantioselective synthesis of C_sp₂-N atropisomers <i>via</i> formal C_sp₂-O bond amination.
• Authors of publication: Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 3893 - 3900
• a: 28.218 ± 0.002 Å
• b: 10.8756 ± 0.0007 Å
• c: 17.0557 ± 0.0012 Å
• α: 90°
• β: 124.15 ± 0.002°
• γ: 90°
• Cell volume: 4331.7 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No