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Information card for entry 7247711
Preview
Coordinates | 7247711.cif |
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Original paper (by DOI) | HTML |
Common name | Tioconazole-fumerate salt hemihydrate |
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Formula | C40 H36 Cl6 N4 O11 S2 |
Calculated formula | C40 H36 Cl6 N4 O11 S2 |
Title of publication | Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes |
Authors of publication | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 48 |
Pages of publication | 6758 - 6776 |
a | 7.8551 ± 0.0005 Å |
b | 46.374 ± 0.002 Å |
c | 12.4658 ± 0.0005 Å |
α | 90° |
β | 90.468 ± 0.004° |
γ | 90° |
Cell volume | 4540.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.2218 |
Residual factor for significantly intense reflections | 0.1029 |
Weighted residual factors for significantly intense reflections | 0.2385 |
Weighted residual factors for all reflections included in the refinement | 0.3075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288801 (current) | 2024-01-06 | cif/ Updating files of 7247709, 7247710, 7247711, 7247712, 7247713, 7247714, 7247715, 7247716, 7247717, 7247718, 7247719, 7247720, 7247721, 7247722, 7247723, 7247724 Original log message: Adding full bibliography for 7247709--7247724.cif. |
7247711.cif |
287595 | 2023-11-15 | cif/ Adding structures of 7247709, 7247710, 7247711, 7247712, 7247713, 7247714, 7247715, 7247716, 7247717, 7247718, 7247719, 7247720, 7247721, 7247722, 7247723, 7247724 via cif-deposit CGI script. |
7247711.cif |
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Users of the data should acknowledge the original authors of the
structural data.