Table 2. Experimental details.
Crystal data | |
Chemical formula | 2C27H21N3O6·C2H6O |
M r | 1013.00 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 18.248 (4), 10.304 (2), 27.541 (6) |
β (°) | 101.41 (3) |
V (Å3) | 5076.1 (18) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.10 |
Crystal size (mm) | 0.20 × 0.20 × 0.10 |
Data collection | |
Diffractometer | Enraf–Nonius CAD-4 |
Absorption correction | ψ scan (North et al., 1968 ▸) |
T min, T max | 0.97, 0.98 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 9324, 9324, 4039 |
R int | 0.160 |
(sin θ/λ)max (Å−1) | 0.603 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.104, 0.213, 1.20 |
No. of reflections | 9324 |
No. of parameters | 676 |
No. of restraints | 2 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.36, −0.28 |