Information card for entry 2205008

Structure parameters

• Formula: C34 H16 N4 O4
• Calculated formula: C34 H16 N4 O4
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1c1cccnc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)c1cccnc1
• Title of publication: <i>N,N</i>'-Di-3-pyridylperylene-3,4:9,10-bis(dicarboximide)
• Authors of publication: Mizuguchi, Jin; Hino, Kazuyuki; Sato, Kazuyuki; Takahashi, Hiroo; Suzuki, Shigeru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o434 - o436
• a: 15.422 ± 0.002 Å
• b: 3.8275 ± 0.0006 Å
• c: 19.282 ± 0.003 Å
• α: 90°
• β: 103.29 ± 0.01°
• γ: 90°
• Cell volume: 1107.7 ± 0.3 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes