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Information card for entry 1572705
Preview
Coordinates | 1572705.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H48 Cl3.5 F2 N4 |
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Calculated formula | C48 H48 Cl3.5 F2 N4 |
Title of publication | Tether-entangled conjugated helices. |
Authors of publication | Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 41 |
Pages of publication | 17128 - 17149 |
a | 15.9463 ± 0.0003 Å |
b | 15.9463 ± 0.0003 Å |
c | 35.1878 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8947.7 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 5 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.2198 |
Weighted residual factors for all reflections included in the refinement | 0.2383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296365 (current) | 2024-12-06 | cif/ Updating files of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 Original log message: Adding full bibliography for 1572702--1572708.cif. |
1572705.cif |
294925 | 2024-09-28 | cif/ Adding structures of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 via cif-deposit CGI script. |
1572705.cif |
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Users of the data should acknowledge the original authors of the
structural data.