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Information card for entry 4511768
Preview
Coordinates | 4511768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H28 N2 O9 S |
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Calculated formula | C29 H28 N2 O9 S |
SMILES | o1c(cc(=O)c2c1cc(O)cc2O)c1ccc(O)c(c1)O.S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.C(O)C |
Title of publication | Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals |
Authors of publication | Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 9 |
Pages of publication | 4562 |
a | 22.293 ± 0.002 Å |
b | 7.7975 ± 0.0007 Å |
c | 16.0553 ± 0.0014 Å |
α | 90° |
β | 91.814 ± 0.005° |
γ | 90° |
Cell volume | 2789.5 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1829 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for significantly intense reflections | 0.16 |
Weighted residual factors for all reflections included in the refinement | 0.2169 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179664 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511768.cif |
122869 | 2014-09-06 | cif/ Updating files of 4511765, 4511766, 4511767, 4511768, 4511769, 4511770 Original log message: Adding full bibliography for 4511765--4511770.cif. |
4511768.cif |
122241 | 2014-08-20 | cif/ Adding structures of 4511768 via cif-deposit CGI script. |
4511768.cif |
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Users of the data should acknowledge the original authors of the
structural data.