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Information card for entry 1565915
Preview
Coordinates | 1565915.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H57 Cl2 N6 O11.5 |
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Calculated formula | C49 H57 Cl2 N6 O11.5 |
Title of publication | Ultramacrocyclization in water via external templation |
Authors of publication | Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 798 - 803 |
a | 10.312 ± 0.0012 Å |
b | 20.687 ± 0.002 Å |
c | 26.395 ± 0.003 Å |
α | 74.272 ± 0.007° |
β | 81.268 ± 0.008° |
γ | 78.693 ± 0.008° |
Cell volume | 5285.6 ± 1 Å3 |
Cell temperature | 184 ± 2 K |
Ambient diffraction temperature | 183.95 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2236 |
Residual factor for significantly intense reflections | 0.1263 |
Weighted residual factors for significantly intense reflections | 0.3271 |
Weighted residual factors for all reflections included in the refinement | 0.4007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272594 (current) | 2022-02-04 | cif/ Updating files of 1565914, 1565915, 1565916, 1565917 Original log message: Adding full bibliography for 1565914--1565917.cif. |
1565915.cif |
271816 | 2022-01-06 | cif/ Adding structures of 1565914, 1565915, 1565916, 1565917 via cif-deposit CGI script. |
1565915.cif |
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Users of the data should acknowledge the original authors of the
structural data.