Information card for entry 4027336

Structure parameters

• Common name: 1,3,6-triphenylfulvene
• Chemical name: 1,3,6-triphenylfulvene
• Formula: C24 H18
• Calculated formula: C24 H18
• SMILES: C1(=CC(=CC\1=C/C1C=CCC=C1)c1ccccc1)c1ccccc1
• 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: 17.449 ± 0.006 Å
• b: 5.698 ± 0.002 Å
• c: 16.787 ± 0.006 Å
• α: 90°
• β: 99.761 ± 0.004°
• γ: 90°
• Cell volume: 1644.9 ± 1 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: 0.0465
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1085
• 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: No