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Information card for entry 1551656
Preview
| Coordinates | 1551656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H37 N3 O4 |
|---|---|
| Calculated formula | C31 H37 N3 O4 |
| SMILES | O(C)C(=O)c1c(N(C(C)C)C(=O)c2c(N(C(C)C)C(=O)c3c(NC(C)C)cccc3)cccc2)cccc1 |
| Title of publication | Crystal Structure of N-Isopropylanthranilic Acid Trimer |
| Authors of publication | YOKOYAMA, Akihiro; KAWANO, Natsumi; WADA, Yuka; NISHIKAWA, Michihiro; TAKAISHI, Kazuto; YOKOZAWA, Tsutomu |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 35 |
| a | 7.72 ± 0.004 Å |
| b | 9.006 ± 0.004 Å |
| c | 20.131 ± 0.009 Å |
| α | 92.459 ± 0.007° |
| β | 95.299 ± 0.007° |
| γ | 91.099 ± 0.007° |
| Cell volume | 1392 ± 1.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216267 (current) | 2019-06-20 | cif/ Adding structures of 1551656 via cif-deposit CGI script. |
1551656.cif |
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