Information card for entry 1516423

Structure parameters

• Formula: C32 H26 O2
• Calculated formula: C32 H26 O2
• SMILES: COc1ccc(cc1)/C=C/c1c2ccccc2c(c2c1cccc2)/C=C/c1ccc(cc1)OC
• 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: 6.9598 ± 0.0014 Å
• b: 8.8751 ± 0.0018 Å
• c: 10.465 ± 0.002 Å
• α: 101.5 ± 0.03°
• β: 99.17 ± 0.03°
• γ: 105.19 ± 0.03°
• Cell volume: 595.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.14
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No