Information card for entry 2243401

Structure parameters

• Common name: 6-(3,4-Dimethoxynaphthalen-2-yl)-1,3-diphenylfulvene
• Chemical name: 5-[(3,4-Dimethoxynaphthalen-2-yl)methylidene]-1,3-diphenylcyclopenta-1,3-diene
• Formula: C30 H24 O2
• Calculated formula: C30 H24 O2
• SMILES: O(c1c(/C=C2\C=C(C=C2c2ccccc2)c2ccccc2)c2c(cc1OC)cccc2)C
• 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: 7.3431 ± 0.0001 Å
• b: 11.5468 ± 0.0001 Å
• c: 25.7555 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183.79 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes