| Crystal data |
| Chemical formula |
C44H48O10·C8H19N·H2O |
|
M
r
|
884.08 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
12.147 (12), 12.341 (12), 19.406 (19) |
| α, β, γ (°) |
91.433 (11), 90.181 (11), 119.182 (9) |
|
V (Å3) |
2539 (4) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.08 |
| Crystal size (mm) |
0.12 × 0.11 × 0.02 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.000, 0.998 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19245, 8604, 3452 |
|
R
int
|
0.078 |
| (sin θ/λ)max (Å−1) |
0.589 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.094, 0.349, 0.95 |
| No. of reflections |
8604 |
| No. of parameters |
606 |
| No. of restraints |
44 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.36, −0.27 |
