| Crystal data |
| Chemical formula |
C21H12Br4O4
|
|
M
r
|
647.95 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
3.8875 (1), 9.3118 (2), 14.7772 (3) |
| α, β, γ (°) |
104.228 (2), 93.211 (2), 98.219 (2) |
|
V (Å3) |
510.87 (2) |
|
Z
|
1 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
9.85 |
| Crystal size (mm) |
0.13 × 0.06 × 0.01 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix3000 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2024 ▸) |
|
Tmin, Tmax
|
0.543, 0.998 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9500, 1892, 1848 |
|
R
int
|
0.022 |
| (sin θ/λ)max (Å−1) |
0.605 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.019, 0.048, 1.11 |
| No. of reflections |
1892 |
| No. of parameters |
147 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.49 |
