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Information card for entry 1572972
Preview
Coordinates | 1572972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H52 Cl F6 N5 O4 |
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Calculated formula | C40 H52 Cl F6 N5 O4 |
Title of publication | Stimuli-responsive anion transport utilising caged hydrazone-based anionophores |
Authors of publication | Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J. |
Journal of publication | Nanoscale |
Year of publication | 2024 |
a | 10.5597 ± 0.0004 Å |
b | 10.1486 ± 0.0005 Å |
c | 38.667 ± 0.002 Å |
α | 90° |
β | 92.415 ± 0.004° |
γ | 90° |
Cell volume | 4140.1 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1108 |
Residual factor for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections | 0.2351 |
Weighted residual factors for significantly intense reflections | 0.2235 |
Weighted residual factors for all reflections included in the refinement | 0.2351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0307 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295673 (current) | 2024-10-30 | cif/ Adding structures of 1572971, 1572972 via cif-deposit CGI script. |
1572972.cif |
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Users of the data should acknowledge the original authors of the
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