Information card for entry 7232781
| Common name |
2,6-lutidinium hydrogen fumarate |
| Formula |
C11 H13 N O4 |
| Calculated formula |
C11 H13 N O4 |
| Title of publication |
An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate |
| Authors of publication |
Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2019 |
| Journal volume |
21 |
| Journal issue |
22 |
| Pages of publication |
3502 |
| a |
9.8451 ± 0.0003 Å |
| b |
15.1918 ± 0.0004 Å |
| c |
7.4842 ± 0.0002 Å |
| α |
90° |
| β |
108.573 ± 0.003° |
| γ |
90° |
| Cell volume |
1061.07 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0413 |
| Residual factor for significantly intense reflections |
0.0373 |
| Weighted residual factors for significantly intense reflections |
0.0982 |
| Weighted residual factors for all reflections included in the refinement |
0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 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/7232781.html
