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Information card for entry 7205442
Preview
Coordinates | 7205442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 F3 N4 O5 S |
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Calculated formula | C26 H24 F3 N4 O5 S |
SMILES | s1c(nc2c1cccc2Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F)NC(=O)C.OC(=O)C(O)CC=CC |
Title of publication | Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms |
Authors of publication | Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 4 |
Pages of publication | 1170 |
a | 4.7288 ± 0.0011 Å |
b | 9.1387 ± 0.0019 Å |
c | 30.731 ± 0.006 Å |
α | 93.847 ± 0.014° |
β | 94.068 ± 0.015° |
γ | 98.881 ± 0.014° |
Cell volume | 1304.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.19 |
Residual factor for significantly intense reflections | 0.1015 |
Weighted residual factors for significantly intense reflections | 0.2674 |
Weighted residual factors for all reflections included in the refinement | 0.334 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205442.html
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Users of the data should acknowledge the original authors of the
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