| Crystal data |
| Chemical formula |
2C29H42N4O5H2O |
|
M
r
|
1071.34 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
170 |
|
a, b, c () |
6.7137(3), 14.0263(5), 16.6757(8) |
| , , () |
113.889(4), 94.515(4), 90.976(4) |
|
V (3) |
1429.29(12) |
|
Z
|
1 |
| Radiation type |
Mo K
|
| (mm1) |
0.09 |
| Crystal size (mm) |
0.42 0.15 0.09 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova, Single source at offset, Eos |
| Absorption correction |
Analytical [CrysAlis PRO (Agilent, 2013 ▸), based on expressions derived by Clark Reid (1995 ▸)] |
|
T
min, T
max
|
0.990, 0.998 |
| No. of measured, independent and observed [I > 2(I)] reflections |
13976, 7670, 5463 |
|
R
int
|
0.016 |
| (sin /)max (1) |
0.716 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.053, 0.148, 1.05 |
| No. of reflections |
7670 |
| No. of parameters |
364 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.36, 0.26 |
