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Information card for entry 7247826
Preview
Coordinates | 7247826.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H35 Cd N8 O14 P |
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Calculated formula | C27 H35 Cd N8 O14 P |
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 | 10.7744 ± 0.0004 Å |
b | 25.5061 ± 0.0011 Å |
c | 31.6431 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8695.9 ± 0.6 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.0601 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
7247826.cif |
288022 | 2023-12-05 | cif/ Adding structures of 7247822, 7247823, 7247824, 7247825, 7247826 via cif-deposit CGI script. |
7247826.cif |
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Users of the data should acknowledge the original authors of the
structural data.