| Crystal data |
| Chemical formula |
C42H58O6·C4H10O |
|
M
r
|
733.00 |
| Crystal system, space group |
Triclinic, P1 |
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.9162 (9), 13.1285 (16), 21.944 (3) |
| α, β, γ (°) |
101.178 (2), 99.094 (2), 96.991 (2) |
|
V (Å3) |
2181.7 (4) |
|
Z
|
2 |
| Radiation type |
Synchrotron, λ = 0.4132 Å |
| μ (mm−1) |
0.03 |
| Crystal size (mm) |
0.01 × 0.01 × 0.01 |
| |
| Data collection |
| Diffractometer |
BL02B1 beamline of SPring-8 using a PILATUS 3X CdTe 1M detector (Dectris) |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
Tmin, Tmax
|
0.790, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
50529, 19428, 18495 |
|
R
int
|
0.062 |
| (sin θ/λ)max (Å−1) |
0.649 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.049, 0.133, 1.04 |
| No. of reflections |
19428 |
| No. of parameters |
993 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.55, −0.32 |
| Absolute structure |
Flack x determined using 8327 quotients [(I+) −(I−)]/[(I+) + (I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.2 (10) |
