Information card for entry 1571404

Structure parameters

• Formula: C22 H20 Br2 N2 O6
• Calculated formula: C22 H20 Br2 N2 O6
• Title of publication: Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
• Authors of publication: Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 6924 - 6933
• a: 8.6432 ± 0.0006 Å
• b: 5.5418 ± 0.0003 Å
• c: 22.9285 ± 0.0012 Å
• α: 90°
• β: 99 ± 0.006°
• γ: 90°
• Cell volume: 1084.73 ± 0.11 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No