Information card for entry 2243400

Structure parameters

• Common name: 6-Cyclopropyl-1,3-diphenylfulvene
• Chemical name: 5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene
• Formula: C21 H18
• Calculated formula: C21 H18
• SMILES: C1(=CC(=C/C1=C\C1CC1)c1ccccc1)c1ccccc1
• Title of publication: Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene
• Authors of publication: Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 896 - 899
• a: 12.9844 ± 0.0002 Å
• b: 11.9583 ± 0.0001 Å
• c: 19.3729 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.06 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes