| Crystal data |
| Chemical formula |
C28H37N3O13
|
|
M
r
|
623.60 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
93 |
|
a, b, c (Å) |
17.7734 (2), 4.97864 (4), 18.7681 (2) |
| β (°) |
114.2255 (14) |
|
V (Å3) |
1514.49 (3) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.93 |
| Crystal size (mm) |
0.41 × 0.14 × 0.04 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction XtaLAB Pro: Kappa single |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.754, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7024, 3952, 3832 |
|
R
int
|
0.018 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.026, 0.072, 0.77 |
| No. of reflections |
3952 |
| No. of parameters |
470 |
| No. of restraints |
21 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.17, −0.18 |
| Absolute structure |
Flack x determined using 629 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.06 (12) |
