| Crystal data |
| Chemical formula |
C28H32BN3
|
|
M
r
|
421.37 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
147 |
|
a, b, c (Å) |
9.4938 (7), 11.5325 (8), 11.3739 (9) |
| β (°) |
109.557 (2) |
|
V (Å3) |
1173.45 (15) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.07 |
| Crystal size (mm) |
0.35 × 0.27 × 0.07 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEX DUO CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.701, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10457, 5032, 4054 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.046, 0.104, 1.03 |
| No. of reflections |
5032 |
| No. of parameters |
302 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.19 |
| Absolute structure |
Flack x determined using 1500 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−1.3 (10) |
