Information card for entry 7112507
| Formula |
C37 H43 Cl O17 |
| Calculated formula |
C37 H43 Cl O17 |
| Title of publication |
On the importance of synthetic organic chemistry in drug discovery: reflections on the discovery of antidiabetic agent ertugliflozin |
| Authors of publication |
Mascitti, Vincent; Thuma, Benjamin A.; Smith, Aaron C.; Robinson, Ralph P.; Brandt, Thomas; Kalgutkar, Amit S.; Maurer, Tristan S.; Samas, Brian; Sharma, Raman |
| Journal of publication |
MedChemComm |
| Year of publication |
2013 |
| Journal volume |
4 |
| Journal issue |
1 |
| Pages of publication |
101 |
| a |
16.0735 ± 0.0005 Å |
| b |
7.0772 ± 0.0002 Å |
| c |
18.7585 ± 0.0006 Å |
| α |
90° |
| β |
113.351 ± 0.001° |
| γ |
90° |
| Cell volume |
1959.1 ± 0.1 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 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 |
0.0537 |
| Residual factor for significantly intense reflections |
0.0418 |
| Weighted residual factors for significantly intense reflections |
0.1062 |
| Weighted residual factors for all reflections included in the refinement |
0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7112507.html
