| Crystal data |
| Chemical formula |
C54H72BrO4
|
|
M
r
|
865.02 |
| Crystal system, space group |
Monoclinic, C2/c
|
| Temperature (K) |
123 |
|
a, b, c () |
34.730(5), 14.7386(7), 25.903(4) |
| () |
132.36(2) |
|
V (3) |
9797(3) |
|
Z
|
8 |
| Radiation type |
Cu K
|
| (mm1) |
1.46 |
| Crystal size (mm) |
0.46 0.33 0.10 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur Ruby Gemini |
| Absorption correction |
Analytical [CrysAlis PRO (Agilent, 2012 ▸), based on expressions derived by Clark Reid (1995 ▸)] |
|
T
min, T
max
|
0.801, 0.948 |
| No. of measured, independent and observed [I > 2(I)] reflections |
20219, 9873, 6973 |
|
R
int
|
0.030 |
| (sin /)max (1) |
0.628 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.109, 0.337, 1.05 |
| No. of reflections |
9873 |
| No. of parameters |
649 |
| No. of restraints |
188 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
1.27, 1.17 |
