Information card for entry 2007750

Structure parameters

• Chemical name: N,N'-bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)
• Formula: C40 H26 N2 O4
• Calculated formula: C40 H26 N2 O4
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1CCc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)CCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1479 - 1481
• a: 4.737 ± 0.001 Å
• b: 32.45 ± 0.003 Å
• c: 9.507 ± 0.001 Å
• α: 90°
• β: 100.27 ± 0.01°
• γ: 90°
• Cell volume: 1438 ± 0.4 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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: 0.076
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes