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Information card for entry 7132161
Preview
Coordinates | 7132161.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-cis |
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Formula | C28 H32 N6 O2 |
Calculated formula | C28 H32 N6 O2 |
Title of publication | Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle |
Authors of publication | Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing |
Journal of publication | Chemical Communications |
Year of publication | 2023 |
a | 11.4339 ± 0.0005 Å |
b | 9.3891 ± 0.0004 Å |
c | 24.5636 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2637 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0917 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0647 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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286604 (current) | 2023-10-01 | cif/ Adding structures of 7132161, 7132162 via cif-deposit CGI script. |
7132161.cif |
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