Information card for entry 1515460

Structure parameters

• Formula: C26 H30 N2 O4
• Calculated formula: C26 H30 N2 O4
• SMILES: CCCCCCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCCCCC
• Title of publication: A fully self-assembled non-symmetric triad for photoinduced charge separation
• Authors of publication: Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 676
• a: 4.8231 ± 0.0002 Å
• b: 8.3044 ± 0.0003 Å
• c: 14.264 ± 0.0006 Å
• α: 96.566 ± 0.002°
• β: 97.473 ± 0.002°
• γ: 92.996 ± 0.002°
• Cell volume: 561.44 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1532
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2574
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No