Information card for entry 2205010

Structure parameters

• Formula: C34 H16 N4 O4
• Calculated formula: C34 H16 N4 O4
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1c1ccncc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)c1ccncc1
• Title of publication: <i>N,N</i>'-Di-4-pyridylperylene-3,4:9,10-bis(dicarboximide)
• Authors of publication: Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o440 - o441
• a: 21.232 ± 0.002 Å
• b: 15.89 ± 0.002 Å
• c: 6.9311 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.4 ± 0.5 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes