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Information card for entry 4507951
Preview
Coordinates | 4507951.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H23 N3 O6 |
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Calculated formula | C24 H23 N3 O6 |
SMILES | O=C(O)c1c(NC(=O)/C=C/c2cc(OC)c(OC)cc2)cccc1.n1cc(ccc1)C(=O)N |
Title of publication | Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast |
Authors of publication | Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 3546 |
a | 5.1527 ± 0.0003 Å |
b | 19.4205 ± 0.0011 Å |
c | 21.9733 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2198.8 ± 0.2 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0446 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179615 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79. |
4507951.cif |
87769 | 2013-08-27 | cif/ Adding structures of 4507951 via cif-deposit CGI script. |
4507951.cif |
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Users of the data should acknowledge the original authors of the
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