Information card for entry 1516420

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c1ccc2c(c1)c(/C=C/c1ccccc1)c1c(c2/C=C/c2ccccc2)cccc1
• Title of publication: Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion
• Authors of publication: He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 22
• Pages of publication: 9892
• a: 5.25 ± 0.001 Å
• b: 9.4591 ± 0.0019 Å
• c: 20.734 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 1029.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No