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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