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Information card for entry 4122672
Preview
Coordinates | 4122672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38 N12 O11 |
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Calculated formula | C45 H38 N12 O11 |
SMILES | O(Cc1ccccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)OC.O.O |
Title of publication | Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules. |
Authors of publication | Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14270 |
a | 8.6328 ± 0.0009 Å |
b | 8.7993 ± 0.0009 Å |
c | 28.664 ± 0.003 Å |
α | 89.787 ± 0.002° |
β | 83.161 ± 0.002° |
γ | 73.91 ± 0.003° |
Cell volume | 2076.2 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1051 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1436 |
Weighted residual factors for all reflections included in the refinement | 0.1539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122672.html
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Users of the data should acknowledge the original authors of the
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