Information card for entry 7118363

Structure parameters

• Formula: C26 H22
• Calculated formula: C26 H22
• SMILES: c12c3c4cc5c2c(ccc5)C(C)(C)c2c1c(C(c3ccc4)(C)C)ccc2
• Title of publication: A planarized 9-phenylanthracene: a simple electron-donating building block for fluorescent materials.
• Authors of publication: Iwahara, Hideaki; Kushida, Tomokatsu; Yamaguchi, Shigehiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1124 - 1127
• a: 9.937 ± 0.004 Å
• b: 17.673 ± 0.007 Å
• c: 10.223 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1795.3 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No