Information card for entry 4503302

Structure parameters

• Common name: 2,6-Diphenylfuchsone
• Chemical name: 2,6-Diphenyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone
• Formula: C31 H22 O
• Calculated formula: C31 H22 O
• SMILES: C1(=O)C(=CC(=C(c2ccccc2)c2ccccc2)C=C1c1ccccc1)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: 8.0562 ± 0.0006 Å
• b: 23.5228 ± 0.0019 Å
• c: 11.5384 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No