Information card for entry 7124791
| Chemical name |
Methyl (1R*,2R*,5S*,8S*,9R*,10S*)-7-oxo-5-{[4-(trifluoromethyl)phenyl]methyl}-13-oxa-6-azatetracyclo[8.2.1.0^1^,8.0^2^,6]tridecane-9-carboxylate |
| Formula |
C21 H22 F3 N O4 |
| Calculated formula |
C21 H22 F3 N O4 |
| Title of publication |
A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds. |
| Authors of publication |
Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2016 |
| Journal volume |
52 |
| Journal issue |
63 |
| Pages of publication |
9837 - 9840 |
| a |
11.7112 ± 0.0003 Å |
| b |
15.2229 ± 0.0004 Å |
| c |
22.2156 ± 0.0006 Å |
| α |
78.173 ± 0.002° |
| β |
76.486 ± 0.002° |
| γ |
89.949 ± 0.002° |
| Cell volume |
3764.55 ± 0.18 Å3 |
| Cell temperature |
119.99 ± 0.18 K |
| Ambient diffraction temperature |
119.99 ± 0.18 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0714 |
| Residual factor for significantly intense reflections |
0.0603 |
| Weighted residual factors for significantly intense reflections |
0.1649 |
| Weighted residual factors for all reflections included in the refinement |
0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7124791.html
