Information card for entry 1552948

Structure parameters

• Formula: C26 H12 Br2 N2 O6
• Calculated formula: C26 H12 Br2 N2 O6
• SMILES: Brc1c(c2c(oc3c2c2ccc4oc(N(=O)=O)c(c4c2cc3)c2c(Br)cccc2)N(=O)=O)cccc1
• Title of publication: Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.
• Authors of publication: Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 403 - 408
• a: 7.355 ± 0.0004 Å
• b: 12.9923 ± 0.0007 Å
• c: 24.5807 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.9 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No