Information card for entry 7124374
| Formula |
C82 H94 N4 O5 |
| Calculated formula |
C82 H94 N4 O5 |
| Title of publication |
Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2 |
| Authors of publication |
Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H. |
| Journal of publication |
Chemical Communications |
| Year of publication |
2019 |
| a |
8.9101 ± 0.0004 Å |
| b |
11.0141 ± 0.0005 Å |
| c |
17.3483 ± 0.0008 Å |
| α |
84.2353 ± 0.0014° |
| β |
78.5292 ± 0.0013° |
| γ |
85.5819 ± 0.0013° |
| Cell volume |
1657.22 ± 0.13 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0451 |
| Residual factor for significantly intense reflections |
0.042 |
| Weighted residual factors for significantly intense reflections |
0.1114 |
| Weighted residual factors for all reflections included in the refinement |
0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.104 |
| 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/7124374.html
