Information card for entry 7105034

Structure parameters

• Formula: C54 H58
• Calculated formula: C54 H58
• SMILES: c1(c(cc2cc3cc(c(cc3cc2c1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Synthesis, photophysical properties and color tuning of highly fluorescent 9,10-disubstituted-2,3,6,7-tetraphenylanthracene.
• Authors of publication: Lin, Sheng-Hsun; Wu, Fang-Iy; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 6961 - 6963
• a: 12.8863 ± 0.0006 Å
• b: 37.2568 ± 0.0017 Å
• c: 11.0722 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5315.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2209
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No