| Crystal data |
| Chemical formula |
C17H25N5O7
|
|
M
r
|
411.42 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.1817 (1), 26.4033 (5), 8.8800 (2) |
| β (°) |
98.023 (1) |
|
V (Å3) |
1899.52 (6) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.96 |
| Crystal size (mm) |
0.15 × 0.08 × 0.08 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2008 ▸) |
|
T
min, T
max
|
0.86, 0.93 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
26696, 6862, 6644 |
|
R
int
|
0.029 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.027, 0.072, 1.04 |
| No. of reflections |
6862 |
| No. of parameters |
531 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.23, −0.17 |
| Absolute structure |
Flack x determined using 2923 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.08 (5) |
