| Crystal data |
| Chemical formula |
C27H21N3O6C2H6O |
|
M
r
|
529.54 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c () |
11.074(2), 11.585(2), 12.898(3) |
| , , () |
114.09(3), 106.68(3), 99.20(3) |
|
V (3) |
1372.5(5) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
0.09 |
| Crystal size (mm) |
0.30 0.20 0.10 |
| |
| Data collection |
| Diffractometer |
EnrafNonius CAD-4 |
| Absorption correction |
scan (North et al., 1968 ▶) |
|
T
min, T
max
|
0.973, 0.991 |
| No. of measured, independent and observed [I > 2(I)] reflections |
5313, 5032, 3254 |
|
R
int
|
0.029 |
| (sin /)max (1) |
0.604 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.059, 0.166, 1.04 |
| No. of reflections |
5032 |
| No. of parameters |
352 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
0.19, 0.26 |
