Table 1. Crystal data and diffraction data collection statistics for the BOH2 molecule.
| Crystal data | |
| Chemical formula | C11H15BO2 |
| Molecular weight | 190.039 |
| Crystal system, space group | Orthorhombic, Pbca |
| Temperature (K) | 90 (1) |
| a, b, c (Å) | 7.52004 ▸(9), 9.38374 (13), 30.7120 (5) |
| Volume (Å3), Z | 2167.23 (5), 8 |
| Radiation type | Mo Kα |
| λ (Å) | 0.71073 |
| F (000) | 816 |
| Crystal shape and colour | Block and colourless |
| Crystal dimensions (mm) | 0.34 × 0.18 × 0.10 |
| Data collection | |
| Diffractometer | Rigaku MicroMax-007HF |
| Absorption correction | CrysAlisPro 1.171.38.37f † |
| Absorption coefficient μ (mm−1) | 0.077 |
|
0.472, 0.999 |
| sinθmax/λ (Å−1) | 1.12 |
| No. measured, unique reflections | 117 942‡, 12 055 |
| No. reflections (I > 2σ) | 10 680 |
| Completeness (%) at sinθmax/λ | 96.5 |
| R int | 3.06% |
| Refinement | |
| Weighting scheme | W hkl = 3.3/σI 2 |
| wR 2(I), R(F) | 3.62%, 2.70% |
| Goodness of fit | 1.0 |
Rigaku Oxford Diffraction (2015 ▸).
At sinθmax/λ = 1.22 Å−1.
