Information card for entry 1571405

Structure parameters

• Formula: C15 H11 Br0.97 N O3
• Calculated formula: C15 H11 Br0.9689 N O3
• 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: 7.3573 ± 0.0004 Å
• b: 8.0361 ± 0.0006 Å
• c: 21.7154 ± 0.0013 Å
• α: 90°
• β: 93.798 ± 0.006°
• γ: 90°
• Cell volume: 1281.08 ± 0.14 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No