Information card for entry 1514502

Structure parameters

• Formula: C49 H38 N2 O6
• Calculated formula: C49 H38 N2 O6
• SMILES: c1ccc(c(c1C(C)C)N1C(=O)c2ccc3c4c2c(C1=O)ccc4c1c2c3ccc(c2ccc1)c1c2cccc3c2c(cc1)C(=O)N(C3=O)CC(O)CO)C(C)C
• Title of publication: Light harvesting vesicular donor‒acceptor scaffold limits the rate of charge recombination in the presence of an electron donor
• Authors of publication: Cheriya, Rijo T.; Mallia, Ajith R.; Hariharan, Mahesh
• Journal of publication: Energy & Environmental Science
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 1661
• a: 8.947 Å
• b: 14.538 Å
• c: 14.887 Å
• α: 75.26°
• β: 78.85°
• γ: 82.01°
• Cell volume: 1829.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2678
• Residual factor for significantly intense reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.4212
• Weighted residual factors for all reflections included in the refinement: 0.5014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.521
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No