Information card for entry 1514877

Structure parameters

• Formula: C38 H38 N4 O7
• Calculated formula: C38 H38 N4 O7
• SMILES: O1c2cccc3C(=O)c4c(cccc4C(=O)c23)OCCCCOc2cc3n(c4=NC(=O)N(C(=O)c4nc3cc2)CCCC1)CCCCCC
• 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: 7.28715 ± 0.00018 Å
• b: 29.6837 ± 0.0006 Å
• c: 14.4618 ± 0.0004 Å
• α: 90°
• β: 94.412 ± 0.002°
• γ: 90°
• Cell volume: 3118.96 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No