Information card for entry 7224291

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c12ccccc1cc1ccccc1c2/C=C/c1cccc(c1)/C=C/c1ccccc1
• Title of publication: Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers
• Authors of publication: Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2098
• a: 22.1305 ± 0.0004 Å
• b: 5.90728 ± 0.00009 Å
• c: 33.8663 ± 0.0006 Å
• α: 90°
• β: 106.709 ± 0.0018°
• γ: 90°
• Cell volume: 4240.45 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 2
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No