Information card for entry 2242946

Structure parameters

• Common name: 1,3-diphenyl-6-(2,3,4,5,6-pentamethylphenyl)fulvene
• Chemical name: {3-[(2,3,4,5,6-Pentamethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene
• Formula: C29 H28
• Calculated formula: C29 H28
• SMILES: c1(ccccc1)C1=C/C(=C\c2c(c(c(c(c2C)C)C)C)C)C(=C1)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: 30.987 ± 0.007 Å
• b: 5.8273 ± 0.0014 Å
• c: 23.557 ± 0.006 Å
• α: 90°
• β: 96.192 ± 0.003°
• γ: 90°
• Cell volume: 4228.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes