Information card for entry 1561779
| Formula |
C21 H28 F3 N3 O3 |
| Calculated formula |
C21 H28 F3 N3 O3 |
| Title of publication |
An Integrated Console for Capsule-Based, Automated Organic Synthesis |
| Authors of publication |
Jiang, Tuo; Bordi, Samuele; McMillan, Angus Erland; Chen, Kuang-Yen; Saito, Fumito; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W. |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
8.725 ± 0.0003 Å |
| b |
11.2299 ± 0.0006 Å |
| c |
12.2001 ± 0.0005 Å |
| α |
79.147 ± 0.004° |
| β |
80.009 ± 0.003° |
| γ |
73.949 ± 0.004° |
| Cell volume |
1118.85 ± 0.09 Å3 |
| Cell temperature |
250 ± 0.1 K |
| Ambient diffraction temperature |
250 ± 0.1 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 |
0.0768 |
| Residual factor for significantly intense reflections |
0.048 |
| Weighted residual factors for significantly intense reflections |
0.1412 |
| Weighted residual factors for all reflections included in the refinement |
0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1561779.html
