Information card for entry 4503301

Structure parameters

• Common name: Dimethylfuchsone
• Chemical name: 2,6-Dimethyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone
• Formula: C21 H18 O
• Calculated formula: C21 H18 O
• SMILES: C1(=CC(C=C(C1=O)C)=C(c1ccccc1)c1ccccc1)C
• 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: 8.0576 ± 0.0011 Å
• b: 10.7259 ± 0.0014 Å
• c: 17.609 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1521.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No