| Crystal data |
| Chemical formula |
C27H26.82BBr2.18N+Br3
|
|
M
r
|
789.66 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c () |
8.8469(10), 11.2365(13), 14.7528(18) |
| , , () |
79.600(2), 85.158(2), 87.994(2) |
|
V (3) |
1437.0(3) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
7.25 |
| Crystal size (mm) |
0.44 0.22 0.14 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.161, 0.362 |
| No. of measured, independent and observed [I > 2(I)] reflections |
14439, 5310, 3409 |
|
R
int
|
0.052 |
| (sin /)max (1) |
0.605 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.070, 0.156, 1.10 |
| No. of reflections |
5310 |
| No. of parameters |
341 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
1.19, 1.37 |
