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Information card for entry 4128737
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4128737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H64 N18 O24 P2 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128737.html
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Users of the data should acknowledge the original authors of the
structural data.