Information card for entry 1516421

Structure parameters

• Formula: C38 H38 O2
• Calculated formula: C38 H38 O2
• SMILES: O(c1ccc(/C=C/c2c3c(c(/C=C/c4ccc(OCCCC)cc4)c4c2cccc4)cccc3)cc1)CCCC
• 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: 9.5989 ± 0.0019 Å
• b: 12.563 ± 0.003 Å
• c: 14.354 ± 0.003 Å
• α: 110.05 ± 0.03°
• β: 107.52 ± 0.03°
• γ: 99.46 ± 0.03°
• Cell volume: 1479.8 ± 0.8 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: 0.1582
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No