Information card for entry 4027337

Structure parameters

• Common name: 6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene
• Chemical name: 6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene
• Formula: C26 H22 O2
• Calculated formula: C26 H22 O2
• SMILES: O(c1cc(/C=C2/C(=CC(=C2)c2ccccc2)c2ccccc2)cc(OC)c1)C
• Title of publication: Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene
• Authors of publication: Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6371 - 6376
• a: 8.177 ± 0.0018 Å
• b: 8.7726 ± 0.0018 Å
• c: 14.965 ± 0.004 Å
• α: 104.847 ± 0.003°
• β: 90.349 ± 0.003°
• γ: 109.606 ± 0.002°
• Cell volume: 972.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No