Information card for entry 1571403

Structure parameters

• Formula: C21 H16 Br N O3
• Calculated formula: C21 H16 Br 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: 9.5671 ± 0.0002 Å
• b: 6.22015 ± 0.00011 Å
• c: 14.7354 ± 0.0003 Å
• α: 90°
• β: 104.31 ± 0.002°
• γ: 90°
• Cell volume: 849.68 ± 0.03 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0383
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No