| Crystal data |
| Chemical formula |
C29H40N4O7·2H2O |
|
M
r
|
588.03 |
| Crystal system, space group |
Trigonal, R3 |
| Temperature (K) |
295 |
|
a, c (Å) |
24.34430 (7), 14.55212 (4) |
|
V (Å3) |
7468.81 (2) |
|
Z
|
9 |
| Radiation type |
Synchrotron, λ = 0.45813 Å |
| μ (mm−1) |
0.01 |
| Specimen shape, size (mm) |
Cylinder, 3 × 1.5 |
| |
| Data collection |
| Diffractometer |
11-BM, APS |
| Specimen mounting |
Kapton capillary |
| Data collection mode |
Transmission |
| Scan method |
Step |
| 2θ values (°) |
2θmin = 0.500, 2θmax = 49.997, 2θstep = 0.001 |
| |
| Refinement |
|
R factors and goodness of fit |
R
p = 0.048, R
wp = 0.061, R
exp = 0.043, R(F
2) = 0.06407, χ2 = 2.161 |
| No. of parameters |
148 |
| No. of restraints |
112 |
| H-atom treatment |
Only H-atom displacement parameters refined |
| (Δ/σ)max
|
4.723 |
