Information card for entry 2209836

Structure parameters

• Chemical name: 4-[2-(9-anthryl)-2-hydroxyethyl]-4'-methyl-trans-2,2'-bipyridine
• Formula: C27 H22 N2 O
• Calculated formula: C27 H22 N2 O
• SMILES: OC(c1c2ccccc2cc2ccccc12)Cc1ccnc(c1)c1nccc(c1)C
• Title of publication: 4-[2-(9-Anthryl)-2-hydroxyethyl]-4'-methyl-<i>trans</i>-2,2'-bipyridine: a ligand with 2,2'-bipyridine and anthracene subunits
• Authors of publication: Benites, Maria Del Rosario; Watkins, Steven F.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3147 - o3148
• a: 7.4985 ± 0.001 Å
• b: 10.505 ± 0.002 Å
• c: 12.782 ± 0.002 Å
• α: 82.102 ± 0.009°
• β: 73.795 ± 0.01°
• γ: 87.186 ± 0.011°
• Cell volume: 957.6 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes