Information card for entry 4128737

Structure parameters

• Formula: C38 H64 N18 O24 P2
• Calculated formula: C38 H64 N18 O24 P2
• SMILES: c1n(c2c(c(=O)[nH]c(n2)N)n1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)COP(=O)([O-])O.C(=[NH2+])(N)NCCOc1ccc(cc1)/N=N/c1ccc(cc1)OCCNC(=[NH2+])N.O.O.O.c1n(c2c(c(=O)[nH]c(n2)N)n1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)COP(=O)([O-])O.O.O.O
• Title of publication: Photoswitchable Fluorescent Crystals Obtained by the Photoreversible Coassembly of a Nucleobase and an Azobenzene Intercalator.
• Authors of publication: Zhou, Li; Retailleau, Pascal; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 23
• Pages of publication: 9321 - 9329
• a: 20.778 ± 0.004 Å
• b: 7.2406 ± 0.0017 Å
• c: 17.576 ± 0.006 Å
• α: 90°
• β: 98.794 ± 0.012°
• γ: 90°
• Cell volume: 2613.1 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No