| Crystal data |
| Chemical formula |
C9H14NO2+·C4H5O6−
|
|
M
r
|
317.29 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
295 |
|
a, b, c (Å) |
7.190512 (12), 8.421634 (17), 24.69323 (5) |
|
V (Å3) |
1495.32 (1) |
|
Z
|
4 |
| Radiation type |
Synchrotron, λ = 0.46873 Å |
| μ (mm−1) |
0.001 |
| Specimen shape, size (mm) |
Cylinder, 2.0 × 1.5 |
| |
| Data collection |
| Diffractometer |
11-BM, APS |
| Specimen mounting |
Kapton capillary |
| Data collection mode |
Transmission |
| Scan method |
Step |
| 2θ values (°) |
2θmin = 0.510, 2θmax = 49.995, 2θstep = 0.001 |
| |
| Refinement |
|
R factors and goodness of fit |
Rp = 0.090, Rwp = 0.105, Rexp = 0.039, R(F2) = 0.09024, χ2 = 7.530 |
| No. of parameters |
85 |
| No. of restraints |
50 |
| (Δ/σ)max
|
2.873 |
