Information card for entry 1514878

Structure parameters

• Formula: C38 H38 N4 O7
• Calculated formula: C38 H38 N4 O7
• SMILES: CCCCCCn1c2=NC(=O)N3C(=O)c2nc2c1cc(OCCCCOc1ccc4c(c1)C(=O)c1ccc(OCCCC3)cc1C4=O)cc2
• Title of publication: Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.
• Authors of publication: Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2013
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 813 - 822
• a: 14.7145 ± 0.0007 Å
• b: 15.495 ± 0.0008 Å
• c: 15.5967 ± 0.0006 Å
• α: 72.967 ± 0.004°
• β: 77.681 ± 0.004°
• γ: 71.913 ± 0.005°
• Cell volume: 3202.6 ± 0.3 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: 0.0922
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No