Information card for entry 1571675
Formula |
C22 H27 N5 O4 S |
Calculated formula |
C22 H27 N5 O4 S |
Title of publication |
Organic NMR Crystallography: Enabling Progress for Applications to Pharmaceuticals and Plant Cell Walls |
Authors of publication |
Rehman, Zainab; Lubay, Jairah; Franks, W. Trent Trent; Corlett, Emily; Nguyen, Bao; Scrivens, Garry; Samas, Brian; Frericks-Schmidt, Heather; Brown, Steven P. |
Journal of publication |
Faraday Discussions |
Year of publication |
2024 |
a |
9.189 ± 0.0004 Å |
b |
12.6757 ± 0.0006 Å |
c |
10.9694 ± 0.0005 Å |
α |
90° |
β |
114.013 ± 0.002° |
γ |
90° |
Cell volume |
1167.1 ± 0.09 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0225 |
Residual factor for significantly intense reflections |
0.0217 |
Weighted residual factors for significantly intense reflections |
0.0556 |
Weighted residual factors for all reflections included in the refinement |
0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1571675.html