Information card for entry 2242945

Structure parameters

• Common name: 1,3-diphenyl-6-mesitylfulvene
• Chemical name: {3-[(2,4,6-Trimethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene
• Formula: C27 H24
• Calculated formula: C27 H24
• SMILES: C1(=CC(=C/C1=C\c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1
• Title of publication: Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes
• Authors of publication: Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 838 - 842
• a: 30.031 ± 0.006 Å
• b: 5.6147 ± 0.0012 Å
• c: 23.494 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.4 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes