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Information card for entry 1571090
Preview
Coordinates | 1571090.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H9 N4 O4 |
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Calculated formula | C12 H10 N4 O4 |
Title of publication | Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica. |
Authors of publication | Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer |
Journal of publication | IUCrJ |
Year of publication | 2024 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 224 - 236 |
a | 26.172 ± 0.003 Å |
b | 3.9741 ± 0.0004 Å |
c | 11.4267 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1188.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1295 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.152 |
Weighted residual factors for all reflections included in the refinement | 0.1769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
290341 (current) | 2024-03-05 | cif/ Updating files of 1571086, 1571087, 1571088, 1571089, 1571090 Original log message: Adding full bibliography for 1571086--1571090.cif. |
1571090.cif |
290032 | 2024-03-02 | cif/ Adding structures of 1571086, 1571087, 1571088, 1571089, 1571090 via cif-deposit CGI script. |
1571090.cif |
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Users of the data should acknowledge the original authors of the
structural data.