Information card for entry 1505045

Structure parameters

• Formula: C26 H16
• Calculated formula: C26 H15.6
• SMILES: c1ccc(cc1)c1c2c3c(c4c2cccc4)cccc3c2c1cccc2
• Title of publication: Aggregation-Induced Emission: Effects of Molecular Structure, Solid-State Conformation, and Morphological Packing Arrangement on Light-Emitting Behaviors of Diphenyldibenzofulvene Derivatives
• Authors of publication: Tong, H.; Dong, Y.; Hong, Y.; Haussler, M.; Lam, J.W.Y.; Sung, H.H.-Y.; Yu, X.; Sun, J.; Williams, I.D.; Kwok, H.S.; Tang, B.Z.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 5
• Pages of publication: 2287
• a: 11.9998 ± 0.0004 Å
• b: 18.2129 ± 0.0005 Å
• c: 7.9427 ± 0.0002 Å
• α: 90°
• β: 108.075 ± 0.002°
• γ: 90°
• Cell volume: 1650.22 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No