Information card for entry 7113205

Structure parameters

• Common name: perylenemonoimide 1
• Formula: C28 H24 N2 O2
• Calculated formula: C28 H24 N2 O2
• SMILES: C1(=O)c2c3c(C(=O)N1CCN(CC)CC)ccc1c4cccc5cccc(c(cc2)c31)c45
• Title of publication: Anisotropic fluorescent materials via self-organization of perylenedicarboximide
• Authors of publication: Huang, Liming; Catalano, Vincent J.; Tam-Chang, Suk-Wah
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2016 - 2018
• a: 4.6959 ± 0.0007 Å
• b: 14.281 ± 0.002 Å
• c: 15.472 ± 0.002 Å
• α: 93.424 ± 0.004°
• β: 92.917 ± 0.004°
• γ: 94.217 ± 0.004°
• Cell volume: 1031.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101893
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No