Information card for entry 1549064

Structure parameters

• Formula: C35 H35 N4 O2
• Calculated formula: C35 H35 N4 O2
• SMILES: O=C1N(c2ccc(/N=C(N\c3ccccc3)C(C)(C)C)cc2)C(=O)C(/C1=C\c1n(c2c(c1C)cccc2)C)=C(C)C
• Title of publication: Modulation of the carboxamidine redox potential through photoinduced spiropyran or fulgimide isomerisation.
• Authors of publication: Andrews, M. Crawford; Peng, Ping; Rajput, Amit; Cozzolino, Anthony F.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 432 - 441
• a: 19.675 ± 0.011 Å
• b: 16.984 ± 0.01 Å
• c: 8.859 ± 0.005 Å
• α: 90°
• β: 95.45 ± 0.009°
• γ: 90°
• Cell volume: 2947 ± 3 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: 0.2281
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.2797
• Weighted residual factors for all reflections included in the refinement: 0.3399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No