Information card for entry 7223101

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c1ccccc1/C=C/c1c2c(c(/C=C/c3ccccc3)c3c1cccc3)cccc2
• 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: 5.2605 ± 0.0011 Å
• b: 9.4604 ± 0.0019 Å
• c: 20.691 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 1029.6 ± 0.4 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: 0.1681
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No