Information card for entry 1558874
| Formula |
C27 H43 Cl F3 N3 O4 |
| Calculated formula |
C27 H43 Cl F3 N3 O4 |
| Title of publication |
Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter |
| Authors of publication |
Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| a |
10.4481 ± 0.0003 Å |
| b |
13.0857 ± 0.0004 Å |
| c |
21.6967 ± 0.0008 Å |
| α |
90.279 ± 0.003° |
| β |
98.533 ± 0.003° |
| γ |
100.758 ± 0.002° |
| Cell volume |
2880.37 ± 0.16 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0549 |
| Residual factor for significantly intense reflections |
0.0406 |
| Weighted residual factors for significantly intense reflections |
0.1042 |
| Weighted residual factors for all reflections included in the refinement |
0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Diffraction radiation X-ray symbol |
K-L~2,3~ |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1558874.html
