Information card for entry 8106883
| Formula |
C18 H19 N O3 |
| Calculated formula |
C18 H19 N O3 |
| Title of publication |
Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3 |
| Authors of publication |
Fu, Ying; Wang, Yun-Kai; Yang, Fei; Ye, Fei |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2016 |
| Journal volume |
231 |
| Journal issue |
2 |
| Pages of publication |
389 - 391 |
| a |
7.9928 ± 0.0016 Å |
| b |
8.7582 ± 0.0018 Å |
| c |
11.692 ± 0.002 Å |
| α |
97 ± 0.03° |
| β |
105.63 ± 0.03° |
| γ |
99.16 ± 0.03° |
| Cell volume |
766.4 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0582 |
| Residual factor for significantly intense reflections |
0.0447 |
| Weighted residual factors for significantly intense reflections |
0.1235 |
| Weighted residual factors for all reflections included in the refinement |
0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8106883.html
