| Crystal data |
| Chemical formula |
C11H13NO6
|
C11H13NO6
|
|
M
r
|
255.22 |
255.22 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
93 |
93 |
|
a, b, c (Å) |
8.8751 (13), 19.555 (2), 6.8688 (9) |
10.476 (3), 10.714 (3), 10.266 (3) |
| β (°) |
106.298 (6) |
105.077 (10) |
|
V (Å3) |
1144.2 (3) |
1112.6 (6) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.12 |
0.13 |
| Crystal size (mm) |
0.45 × 0.42 × 0.39 |
0.56 × 0.54 × 0.25 |
| |
| Data collection |
| Diffractometer |
Rigaku Mercury375R |
Rigaku Mercury375R |
| Absorption correction |
Multi-scan (REQAB; Rigaku, 1998 ▸) |
Multi-scan (REQAB; Rigaku, 1998 ▸) |
|
T
min, T
max
|
0.960, 0.970 |
0.797, 0.970 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11495, 2612, 2098 |
9498, 2058, 1769 |
|
R
int
|
0.047 |
0.033 |
| (sin θ/λ)max (Å−1) |
0.649 |
0.606 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.051, 0.132, 1.11 |
0.049, 0.130, 1.13 |
| No. of reflections |
2612 |
2058 |
| No. of parameters |
166 |
166 |
| H-atom treatment |
H-atom parameters not refined |
H-atom parameters not refined |
| Δρmax, Δρmin (e Å−3) |
0.39, −0.30 |
0.38, −0.35 |
