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Information card for entry 1572706
Preview
Coordinates | 1572706.cif |
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Original paper (by DOI) | HTML |
Formula | C119 H140 N8 O13 |
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Calculated formula | C119 H140 N8 O13 |
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 | 13.8368 ± 0.0013 Å |
b | 22.1444 ± 0.0019 Å |
c | 17.5091 ± 0.0016 Å |
α | 90° |
β | 110.064 ± 0.004° |
γ | 90° |
Cell volume | 5039.3 ± 0.8 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.169 |
Weighted residual factors for all reflections included in the refinement | 0.1908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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. |
1572706.cif |
294925 | 2024-09-28 | cif/ Adding structures of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 via cif-deposit CGI script. |
1572706.cif |
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Users of the data should acknowledge the original authors of the
structural data.