Information card for entry 7108535

Structure parameters

• Formula: C50 H62 O2
• Calculated formula: C50 H62 O2
• SMILES: c1(c2ccccc2c(c2ccccc12)/C=C/c1ccc(OCCCCCCCCCC)cc1)/C=C/c1ccc(cc1)OCCCCCCCCCC
• Title of publication: Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths
• Authors of publication: Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10895
• a: 5.2873 ± 0.0011 Å
• b: 11.926 ± 0.002 Å
• c: 16.467 ± 0.003 Å
• α: 95.422 ± 0.003°
• β: 98.427 ± 0.003°
• γ: 96.703 ± 0.003°
• Cell volume: 1013.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No