Information card for entry 2205330

Structure parameters

• Formula: C52 H40 N4 O6
• Calculated formula: C52 H40 N4 O6
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1CCc1ccncc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)CCc1ccncc1.Cc1cccc(c1)O.Cc1cccc(c1)O
• Title of publication: <i>N</i>,<i>N</i>'-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide) <i>m</i>-cresol disolvate
• Authors of publication: Hino, Kazuyuki; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o672 - o674
• a: 4.903 ± 0.006 Å
• b: 29.26 ± 0.04 Å
• c: 13.96 ± 0.02 Å
• α: 90°
• β: 97.65 ± 0.06°
• γ: 90°
• Cell volume: 1985 ± 5 ų
• Cell temperature: 93.2 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: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes