Table 4. Experimental details.
Crystal data | |
Chemical formula | C27H30NO11·NO3 |
M r | 606.53 |
Crystal system, space group | Monoclinic, P21 |
Temperature (K) | 298 |
a, b, c (Å) | 8.3169 (12), 34.280 (5), 10.1010 (14) |
β (°) | 114.293 (4) |
V (Å3) | 2624.8 (6) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.13 |
Crystal size (mm) | 0.24 × 0.10 × 0.05 |
Data collection | |
Diffractometer | Bruker D8 Quest CMOS |
Absorption correction | Multi-scan (SADABS; Bruker, 2016 ▸) |
T min, T max | 0.685, 0.745 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 33597, 10764, 7299 |
R int | 0.049 |
(sin θ/λ)max (Å−1) | 0.626 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.050, 0.093, 1.01 |
No. of reflections | 10764 |
No. of parameters | 792 |
No. of restraints | 1 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.24, −0.18 |
Absolute structure | Flack x determined using 2632 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸). |
Absolute structure parameter | −0.3 (4) |