Information card for entry 2211183

Structure parameters

• Chemical name: N,N'-Diphenylperylene-3,4:9,10-bis(dicarboximide)
• Formula: C36 H18 N2 O4
• Calculated formula: C36 H18 N2 O4
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1c1ccccc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylperylene-3,4:9,10-bis(dicarboximide)
• Authors of publication: Sato, Kazuyuki; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5008 - o5009
• a: 16.805 ± 0.002 Å
• b: 3.8795 ± 0.0005 Å
• c: 18.381 ± 0.002 Å
• α: 90°
• β: 98.953 ± 0.009°
• γ: 90°
• Cell volume: 1183.7 ± 0.2 ų
• Cell temperature: 93 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 significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes