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Information card for entry 1568764
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Coordinates | 1568764.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C448 H312 F42 N40 O126 P7 |
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Calculated formula | C448 H312 F42 N40 O126 P7 |
Title of publication | High-affinity single and double helical pseudofoldaxanes with cationic guests. |
Authors of publication | Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 18 |
Pages of publication | 4759 - 4768 |
a | 41.464 ± 0.002 Å |
b | 37.476 ± 0.002 Å |
c | 43.38 ± 0.002 Å |
α | 90° |
β | 99.771 ± 0.005° |
γ | 90° |
Cell volume | 66431 ± 6 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2999 |
Residual factor for significantly intense reflections | 0.221 |
Weighted residual factors for significantly intense reflections | 0.5107 |
Weighted residual factors for all reflections included in the refinement | 0.5612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.81 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568764.html
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Users of the data should acknowledge the original authors of the
structural data.