Information card for entry 7108537

Structure parameters

• Formula: C54 H70 O2
• Calculated formula: C54 H70 O2
• SMILES: c1(c2ccccc2c(c2ccccc12)/C=C/c1ccc(OCCCCCCCCCCCC)cc1)/C=C/c1ccc(OCCCCCCCCCCCC)cc1
• 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: 5.4356 ± 0.0009 Å
• b: 7.4034 ± 0.0014 Å
• c: 27.665 ± 0.003 Å
• α: 86.595 ± 0.011°
• β: 84.863 ± 0.01°
• γ: 89.167 ± 0.014°
• Cell volume: 1106.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0567
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No