Information card for entry 4503294

Structure parameters

• Common name: 2,6-Dibromofuchsone
• Chemical name: 2,6-Dibromo-4-(diphenylmethylene)-cyclohexa-2,5-dienone
• Formula: C19 H12 Br2 O
• Calculated formula: C19 H12 Br2 O
• SMILES: BrC1=CC(=C(c2ccccc2)c2ccccc2)C=C(Br)C1=O
• Title of publication: Polymorphism in Fuchsones
• Authors of publication: Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 140
• a: 14.0395 ± 0.0011 Å
• b: 6.7633 ± 0.0005 Å
• c: 17.4564 ± 0.0014 Å
• α: 90°
• β: 97.023 ± 0.001°
• γ: 90°
• Cell volume: 1645.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No