Information card for entry 2008518

Structure parameters

• Chemical name: 2,2'-Biphenol‒1,10-phenanthroline (1/1).
• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: Oc1c(cccc1)c1c(O)cccc1.c12ncccc1ccc1c2nccc1
• Title of publication: 2,2'-Biphenol‒1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π‒π stacking interactions
• Authors of publication: Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 751 - 754
• a: 9.9485 ± 0.0006 Å
• b: 9.3724 ± 0.0006 Å
• c: 20.3571 ± 0.0011 Å
• α: 90°
• β: 98.605 ± 0.006°
• γ: 90°
• Cell volume: 1876.8 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No