Information card for entry 4503296

Structure parameters

• Common name: 2,6-Dichlorofuchsone
• Chemical name: 2,6-Dichloro-4-(diphenylmethylene)-cyclohexa-2,5-dienone
• Formula: C19 H12 Cl2 O
• Calculated formula: C19 H12 Cl2 O
• SMILES: ClC1=CC(C=C(Cl)C1=O)=C(c1ccccc1)c1ccccc1
• 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: 31.056 ± 0.0018 Å
• b: 17.0663 ± 0.001 Å
• c: 23.9123 ± 0.0014 Å
• α: 90°
• β: 106.511 ± 0.001°
• γ: 90°
• Cell volume: 12151.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No