Information card for entry 7223103

Structure parameters

• Formula: C30 H20 Cl2
• Calculated formula: C30 H20 Cl2
• SMILES: c1c(ccc(c1)/C=C/c1c2ccccc2c(/C=C/c2ccc(cc2)Cl)c2ccccc12)Cl
• Title of publication: Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)
• Authors of publication: Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9228
• a: 6.9264 ± 0.0014 Å
• b: 9.7188 ± 0.0019 Å
• c: 9.951 ± 0.002 Å
• α: 64.11 ± 0.03°
• β: 71.29 ± 0.03°
• γ: 76.17 ± 0.03°
• Cell volume: 566.9 ± 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: 0.1607
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No