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Information card for entry 2003419
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Coordinates | 2003419.cif |
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Original IUCr paper | HTML |
Chemical name | N-{3-(3,4-Dimethylphenyl)propyl}-4-hydroxy-3-methoxyphenylactamide |
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Formula | C20 H25 N O3 |
Calculated formula | C20 H25 N O3 |
SMILES | COc1cc(ccc1O)CC(=O)NCCCc1ccc(c(c1)C)C |
Title of publication | KR-25003, a Potent Analgesic Capsaicinoid |
Authors of publication | Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 5 |
Pages of publication | 927 - 929 |
a | 7.964 ± 0.001 Å |
b | 8.859 ± 0.001 Å |
c | 13.229 ± 0.002 Å |
α | 86.34 ± 0.01° |
β | 73.71 ± 0.01° |
γ | 88.25 ± 0.01° |
Cell volume | 894 ± 0.2 Å3 |
Cell temperature | 293 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 | 0.049 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.048 |
Goodness-of-fit parameter for all reflections | 0.526 |
Goodness-of-fit parameter for significantly intense reflections | 0.537 |
Diffraction radiation wavelength | 1.5418 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/2003419.html
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