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Information card for entry 7243582
Preview
Coordinates | 7243582.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H37.5 N O7.25 S2 |
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Calculated formula | C31 H37.5 N O7.25 S2 |
Title of publication | Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate |
Authors of publication | Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 39 |
Pages of publication | 6838 - 6842 |
a | 25.2658 ± 0.0018 Å |
b | 6.3976 ± 0.0005 Å |
c | 22.0858 ± 0.0016 Å |
α | 90° |
β | 121.138 ± 0.001° |
γ | 90° |
Cell volume | 3055.6 ± 0.4 Å3 |
Cell temperature | 353 ± 1 K |
Ambient diffraction temperature | 353 ± 1 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1013 |
Residual factor for significantly intense reflections | 0.0858 |
Weighted residual factors for significantly intense reflections | 0.2633 |
Weighted residual factors for all reflections included in the refinement | 0.2855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270429 (current) | 2021-11-06 | cif/ Updating files of 7243578, 7243579, 7243580, 7243581, 7243582 Original log message: Adding full bibliography for 7243578--7243582.cif. |
7243582.cif |
269294 | 2021-09-25 | cif/ Adding structures of 7243578, 7243579, 7243580, 7243581, 7243582 via cif-deposit CGI script. |
7243582.cif |
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Users of the data should acknowledge the original authors of the
structural data.