Information card for entry 4000445

Structure parameters

• Formula: C21 H18 O2
• Calculated formula: C21 H15 O2
• SMILES: COc1c2[C@@H]3C=C[C@H](c2c(c2c1cc1ccccc1c2)OC)C3
• Title of publication: Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes
• Authors of publication: Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3373 - 3380
• a: 10.719 ± 0.003 Å
• b: 11.444 ± 0.002 Å
• c: 13.315 ± 0.003 Å
• α: 85.567 ± 0.017°
• β: 87.28 ± 0.02°
• γ: 73.885 ± 0.019°
• Cell volume: 1563.9 ± 0.6 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: 0.1896
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No