Information card for entry 2213793

Structure parameters

• Common name: 5,12-bis-(4-tert-butyl-phenyl)-6,12-diphenyl-naphthacene
• Chemical name: 5,12-Bis(4-tert-butyl-phenyl)-6,11-diphenylnaphthacene
• Formula: C50 H44
• Calculated formula: C50 H44
• SMILES: CC(c1ccc(cc1)c1c2ccccc2c(c2c1c(c1ccccc1)c1c(c2c2ccccc2)cccc1)c1ccc(cc1)C(C)(C)C)(C)C
• Title of publication: 5,12-Bis(4-<i>tert</i>-butylphenyl)-6,11-diphenylnaphthacene
• Authors of publication: Schuck, Götz; Haas, Simon; Stassen, Arno F.; Kirner, Hans-Jörg; Batlogg, Bertram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2893 - o2893
• a: 14.158 ± 0.002 Å
• b: 35.39 ± 0.005 Å
• c: 7.2215 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3618.3 ± 0.9 ų
• Cell temperature: 292 ± 1 K
• Ambient diffraction temperature: 292 ± 1 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes