Information card for entry 2242944

Structure parameters

• Common name: 1,3-diphenyl-6-(4-methylphenyl)fulvene
• Chemical name: {3-[(4-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene
• Formula: C25 H20
• Calculated formula: C25 H20
• SMILES: C1(=CC(=C/C1=C\c1ccc(cc1)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: 19.208 ± 0.002 Å
• b: 5.8774 ± 0.0007 Å
• c: 16.1884 ± 0.0018 Å
• α: 90°
• β: 107.71 ± 0.001°
• γ: 90°
• Cell volume: 1740.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes