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Information card for entry 1567440
Preview
Coordinates | 1567440.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H40 N2 O5 |
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Calculated formula | C23 H40 N2 O5 |
Title of publication | Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array |
Authors of publication | Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 33 |
Pages of publication | 9614 - 9623 |
a | 37.83 ± 0.02 Å |
b | 4.929 ± 0.003 Å |
c | 12.845 ± 0.007 Å |
α | 90° |
β | 97.014 ± 0.013° |
γ | 90° |
Cell volume | 2377 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1303 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1355 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277664 (current) | 2022-09-06 | cif/ Updating files of 1567439, 1567440 Original log message: Adding full bibliography for 1567439--1567440.cif. |
1567440.cif |
277156 | 2022-08-09 | cif/ Adding structures of 1567439, 1567440 via cif-deposit CGI script. |
1567440.cif |
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