Information card for entry 4503306

Structure parameters

• Common name: Fuchsone
• Chemical name: 4-(diphenylmethylene)-cyclohexa-2,5-dienone
• Formula: C19 H14 O
• Calculated formula: C19 H14 O
• SMILES: O=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1
• 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: 8.5802 ± 0.0017 Å
• b: 16.575 ± 0.003 Å
• c: 10.004 ± 0.002 Å
• α: 90°
• β: 109.7 ± 0.03°
• γ: 90°
• Cell volume: 1339.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No