Information card for entry 2205334

Structure parameters

• Formula: C50 H36 N4 O6
• Calculated formula: C50 H36 N4 O6
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1CCc1ccncc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)CCc1ccncc1.Oc1ccccc1.Oc1ccccc1
• Title of publication: <i>N,N</i>'-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide) phenol disolvate
• Authors of publication: Mizuguchi, Jin; Hino, Kazuyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o669 - o671
• a: 6.513 ± 0.002 Å
• b: 12.182 ± 0.002 Å
• c: 12.2 ± 0.002 Å
• α: 89.36 ± 0.01°
• β: 81.11 ± 0.01°
• γ: 76.81 ± 0.02°
• Cell volume: 930.8 ± 0.4 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No