Information card for entry 2311487

Structure parameters

• Common name: VII
• Chemical name: 3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1)
• Formula: C15 H8 Br2 N O2
• Calculated formula: C15 H8 Br2 N O2
• Title of publication: A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.
• Authors of publication: Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1743 - 1746
• a: 8.8963 ± 0.0008 Å
• b: 9.4701 ± 0.0009 Å
• c: 9.5839 ± 0.0009 Å
• α: 115.356 ± 0.003°
• β: 106.876 ± 0.003°
• γ: 94.119 ± 0.003°
• Cell volume: 680.03 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No