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Information card for entry 7247825
Preview
Coordinates | 7247825.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H82 Co2 N20 O30 P2 |
---|---|
Calculated formula | C58 H82 Co2 N20 O30 P2 |
SMILES | [Co]([OH2])([OH2])([OH2])([OH2])([n]1ccc(/N=N/c2ccncc2)cc1)[n]1ccc(/N=N/c2ccncc2)cc1.[Co](OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)([OH2])([OH2])([OH2])([n]1ccc(/N=N/c2ccncc2)cc1)[n]1ccc(/N=N/c2ccncc2)cc1.P(=O)([O-])([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O.O.O.O.O.O.O.O |
Title of publication | Mimic uracil–uracil base pairing: self-assembly and single crystal structure |
Authors of publication | Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 3 |
Pages of publication | 261 - 267 |
a | 11.7 ± 0.002 Å |
b | 31.93 ± 0.006 Å |
c | 11.774 ± 0.002 Å |
α | 90° |
β | 106.376 ± 0.007° |
γ | 90° |
Cell volume | 4220.1 ± 1.3 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1402 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
289457 (current) | 2024-02-04 | cif/ Updating files of 7247822, 7247823, 7247824, 7247825, 7247826 Original log message: Adding full bibliography for 7247822--7247826.cif. |
7247825.cif |
288022 | 2023-12-05 | cif/ Adding structures of 7247822, 7247823, 7247824, 7247825, 7247826 via cif-deposit CGI script. |
7247825.cif |
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Users of the data should acknowledge the original authors of the
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