| Crystal data |
| Chemical formula |
C62H84N4O4
|
|
M
r
|
949.33 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
18.48641 (17), 15.84310 (14), 39.4611 (4) |
| β (°) |
93.0666 (8) |
|
V (Å3) |
11540.91 (18) |
|
Z
|
8 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.52 |
| Crystal size (mm) |
0.22 × 0.15 × 0.07 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction SuperNova, Dualflex, AtlasS2 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.931, 0.971 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
55767, 23570, 19544 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.048, 0.130, 1.04 |
| No. of reflections |
23570 |
| No. of parameters |
1461 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.41, −0.32 |
