Information card for entry 1503224

Structure parameters

• Formula: C42 H42 O4
• Calculated formula: C42 H42 O4
• SMILES: CCOc1ccc(cc1)C(=Cc1ccc(cc1)C=C(c1ccc(cc1)OCC)c1ccc(cc1)OCC)c1ccc(cc1)OCC
• Title of publication: Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.
• Authors of publication: An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 4364 - 4367
• a: 22.952 ± 0.003 Å
• b: 7.0269 ± 0.0009 Å
• c: 23.009 ± 0.003 Å
• α: 90°
• β: 112.606 ± 0.007°
• γ: 90°
• Cell volume: 3425.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1169
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1366
• 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