| Crystal data |
|
| Chemical formula |
C16H26O6
|
|
M
r
|
314.4 |
| Crystal system, space group |
Monoclinic, C2(0σ2½) |
| Temperature (K) |
100 |
| Modulation wave vector |
q = 0.1486 (3)b* + c*/2 |
|
a, b, c (Å) |
12.5887 (7), 6.9000 (2), 18.2523 (7) |
| β (°) |
107.227 (5) |
|
V (Å3) |
1514.31 (12) |
|
Z
|
4 |
| Radiation type |
Cu K
|
| μ (mm−1) |
0.87 |
| Crystal size (mm) |
0.26 × 0.17 × 0.03 |
| |
|
| Data collection |
|
| Diffractometer |
XtaLAB Synergy-S, HyPix-6000HE |
| Absorption correction |
Gaussian and empirical |
|
T
min, T
max
|
0.648, 1 |
| No. of measured, independent and observed [I > 3σ(I)] reflections |
30 326, 17 754, 11 476 |
|
R
int
|
0.022 |
| (sin θ/λ)max (Å−1) |
0.597 |
| |
|
| Refinement |
|
|
S
|
2.09 |
|
R[F
2 > 3σ(F
2)] (%), wR(F
2) (%) |
|
| all reflections |
4.44, 14.29 |
| main reflections |
3.40, 11.39 |
| first-order satellites |
4.91, 13.14 |
| second-order satellite |
10.44, 23.64 |
| third-order satellites |
15.78, 39.42 |
| No. of reflections [F
2 > 3σ(F
2)] |
|
| all reflections |
17 754 (11 476) |
| main reflections |
2533 (2529) |
| first-order satellites |
5097 (4985) |
| second-order satellites |
5108 (2703) |
| third-order satellites |
5016 (1259) |
| No. of parameters |
1123 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.27 |
| Extinction correction |
B-C type 1 Gaussian isotropic (Becker & Coppens, 1974 ▸) |
| Extinction coefficient |
3700 (500) |
| Flack parameter |
0.08 (8) |
| Absolute structure |
8268 of Friedel pairs used in the refinement |
