Information card for entry 4034990

Structure parameters

• Common name: DiMethoxyMonoPhIndenotetracene
• Chemical name: 2-methoxy-9-(4-methoxyphenyl)-10-phenylindeno[1,2,3-fg]tetracene
• Formula: C38 H26 O2
• Calculated formula: C38 H26 O2
• SMILES: O(c1cc2c(cc1)c1c3c(c(c4c(cccc4)c23)c2ccccc2)c(c2ccccc12)c1ccc(OC)cc1)C
• Title of publication: Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.
• Authors of publication: Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 1828 - 1841
• a: 11.152 ± 0.002 Å
• b: 19.822 ± 0.003 Å
• c: 11.343 ± 0.002 Å
• α: 90°
• β: 93.755 ± 0.014°
• γ: 90°
• Cell volume: 2502 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No