Information card for entry 1542981

Structure parameters

• Chemical name: 2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide
• Formula: C50 H49 N O2
• Calculated formula: C50 H49 N O2
• SMILES: O=C1N(C(=O)c2c1c1c3cc(cc4c3c(cc(C(C)(C)C)c4)c1c1c3cc(cc4c3c(cc(c4)C(C)(C)C)c21)C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: 2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide
• Authors of publication: Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160473
• a: 19.155 ± 0.003 Å
• b: 10.5762 ± 0.0014 Å
• c: 19.495 ± 0.003 Å
• α: 90°
• β: 92.382 ± 0.003°
• γ: 90°
• Cell volume: 3946 ± 1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• 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: 0.1644
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes