Information card for entry 7124795
| Chemical name |
Ethyl (1R*,2S*,10S*,11R*,12S*)-5-benzyl-9-oxo-15-oxa-5,8-diazatetracyclo[10.2.1.0^1^,^1^°.0^2^,8]pentadecane-11-carboxylate |
| Formula |
C22 H28 N2 O4 |
| Calculated formula |
C22 H28 N2 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 |
9.67334 ± 0.00014 Å |
| b |
11.20885 ± 0.00018 Å |
| c |
18.6086 ± 0.0002 Å |
| α |
90° |
| β |
94.3265 ± 0.0014° |
| γ |
90° |
| Cell volume |
2011.93 ± 0.05 Å3 |
| Cell temperature |
120 ± 0.1 K |
| Ambient diffraction temperature |
120 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0466 |
| Residual factor for significantly intense reflections |
0.0439 |
| Weighted residual factors for significantly intense reflections |
0.1117 |
| Weighted residual factors for all reflections included in the refinement |
0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
| Diffraction radiation probe |
x-ray |
| 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/7124795.html
