| Crystal data |
| Chemical formula |
2C16H27NO·H2O |
|
M
r
|
516.79 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
13.06508 (16), 5.81242 (6), 41.7384 (5) |
| β (°) |
93.3315 (11) |
|
V (Å3) |
3164.25 (6) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.53 |
| Crystal size (mm) |
0.36 × 0.12 × 0.06 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.805, 0.941 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
40427, 6866, 6251 |
|
R
int
|
0.041 |
| (sin θ/λ)max (Å−1) |
0.638 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.044, 0.114, 1.09 |
| No. of reflections |
6866 |
| No. of parameters |
411 |
| No. of restraints |
21 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.20 |
