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Information card for entry 4122673
Preview
Coordinates | 4122673.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H31 N9 O9 |
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Calculated formula | C40 H31 N9 O9 |
SMILES | O(Cc1ccccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1nc(ccc1)C(=O)Nc1cccc(c1O)C(=O)OC |
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 | 13.137 ± 0.0017 Å |
b | 10.1694 ± 0.0014 Å |
c | 26.597 ± 0.004 Å |
α | 90° |
β | 98.7 ± 0.003° |
γ | 90° |
Cell volume | 3512.4 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1425 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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