Information card for entry 7118364

Structure parameters

• Formula: C20 H14
• Calculated formula: C20 H14
• SMILES: c12c(c3c(cccc3)cc1cccc2)c1ccccc1
• 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: 6.247 ± 0.006 Å
• b: 10.259 ± 0.011 Å
• c: 10.779 ± 0.011 Å
• α: 84.94 ± 0.04°
• β: 76.39 ± 0.04°
• γ: 77.39 ± 0.04°
• Cell volume: 654.7 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.2763
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No