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Information card for entry 1572860
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Coordinates | 1572860.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H16 Cl N3 O |
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Calculated formula | C16 H16 Cl N3 O |
Title of publication | Dynamic organic crystal as exceptionally efficient artificial natural light-harvesting actuator |
Authors of publication | Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 14.9184 ± 0.0005 Å |
b | 12.9302 ± 0.0004 Å |
c | 7.6631 ± 0.0003 Å |
α | 90° |
β | 96.635 ± 0.003° |
γ | 90° |
Cell volume | 1468.3 ± 0.09 Å3 |
Cell temperature | 113.15 K |
Ambient diffraction temperature | 113.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0883 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.128 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295437 (current) | 2024-10-12 | cif/ Adding structures of 1572859, 1572860 via cif-deposit CGI script. |
1572860.cif |
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