Research Article
Structure and Properties of 9,14,15,16,17,18,19,20-Octahydro-9,14[1′,4′]-benzenobenzo[b]triphenylene
Table 1
Crystal and refinement data for compound 2.
| Chemical formula | C28H24 | Formula weight (g/mole) | 360.49 | Cell setting | Monoclinic | Space group | | (Å) | 11.0090() | (Å) | 13.733() | (Å) | 13.091() | (°) | 109.583() | Volume (Å3) | 1864.7() | | 4 | Crystal size (mm) | 0.47 × 0.41 × 0.23 | Density (g/mL) | 1.284 | | 768.22 | Temperature (K) | 293 | Mu | 0.07 | Number of reflections | 3496 | (eq) | 0.104 | Unique reflections | 3315 | Reflections (gt) | 1972 | Extinction coefficient | 9800(2600) | Number of reflections used | 3315 | Number of parameters | 254 | (gt) | 0.052 | (gt) | 0.071 | Goodness of fit | 1.05 | Shift/su (max) | <0.0005 | Residual density (max) | 0.17 | Residual density (min) | −0.18 |
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