| Crystal data |
| Chemical formula |
C52H60N6O10·0.25H2O |
|
M
r
|
933.56 |
| Crystal system, space group |
Monoclinic, C2 |
| Temperature (K) |
100 |
|
a, b, c (Å) |
27.505 (3), 12.3814 (12), 14.6346 (14) |
| β (°) |
99.999 (3) |
|
V (Å3) |
4908.2 (8) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.09 |
| Crystal size (mm) |
0.3 × 0.2 × 0.1 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Quest CMOS |
| Absorption correction |
Multi-scan (SADABS-; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.713, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
84318, 9371, 7959 |
|
R
int
|
0.062 |
| (sin θ/λ)max (Å−1) |
0.611 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.086, 1.06 |
| No. of reflections |
9371 |
| No. of parameters |
693 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.16 |
| Absolute structure |
Flack x determined using 3323 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.1 (3) |
