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Information card for entry 1572415
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Coordinates | 1572415.cif |
---|---|
Original IUCr paper | HTML |
Common name | indomethacin |
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Chemical name | [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid |
Formula | C19 H16 Cl N O4 |
Calculated formula | C19 H16 Cl N O4 |
Title of publication | From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion. |
Authors of publication | Leung, Helen W.; Copley, Royston C. B.; Lampronti, Giulio I.; Day, Sarah J.; Saunders, Lucy K.; Johnstone, Duncan N.; Midgley, Paul A. |
Journal of publication | IUCrJ |
Year of publication | 2024 |
Journal volume | 11 |
Journal issue | 5 |
a | 43.7 ± 0.12 Å |
b | 5.19 ± 0.07 Å |
c | 33.43 ± 0.07 Å |
α | 90° |
β | 100.73 ± 0.09° |
γ | 90° |
Cell volume | 7449 ± 10 Å3 |
Cell temperature | 87 ± 2 K |
Ambient diffraction temperature | 87 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.3254 |
Residual factor for significantly intense reflections | 0.2822 |
Weighted residual factors for significantly intense reflections | 0.6107 |
Weighted residual factors for all reflections included in the refinement | 0.6347 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
Diffraction radiation wavelength | 0.0197 Å |
Diffraction radiation type | electron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1572415.html
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