| Crystal data |
| Chemical formula |
C29H38O8·0.25C5H12
|
C29H38O8
|
C29H36O8
|
|
M
r
|
532.64 |
514.59 |
512.59 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/n
|
Monoclinic, P21/c
|
| Temperature (K) |
90 |
90 |
90 |
|
a, b, c (Å) |
11.3343 (5), 15.4666 (7), 16.4870 (8) |
9.3612 (6), 19.6336 (15), 14.1965 (9) |
13.2416 (8), 13.1779 (8), 15.2428 (8) |
| α, β, γ (°) |
85.1124 (14), 78.3773 (14), 78.5231 (15) |
90, 101.762 (2), 90 |
90, 109.387 (2), 90 |
|
V (Å3) |
2771.3 (2) |
2554.4 (3) |
2509.0 (3) |
|
Z
|
4 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.10 |
0.10 |
| Crystal size (mm) |
0.32 × 0.21 × 0.17 |
0.23 × 0.23 × 0.14 |
0.22 × 0.14 × 0.09 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture |
Bruker D8 Venture |
Bruker D8 Venture |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
Multi-scan (SADABS; Bruker, 2014 ▸) |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.97, 0.98 |
0.98, 0.99 |
0.92, 0.99 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
50997, 9735, 7339 |
23252, 4480, 3212 |
22512, 4395, 3050 |
|
R
int
|
0.041 |
0.058 |
0.063 |
| (sin θ/λ)max (Å−1) |
0.595 |
0.595 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.099, 1.02 |
0.043, 0.111, 1.02 |
0.044, 0.105, 0.96 |
| No. of reflections |
9735 |
4480 |
4395 |
| No. of parameters |
726 |
340 |
339 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.24 |
0.51, −0.21 |
0.29, −0.25 |
