Information card for entry 2008299

Structure parameters

• Chemical name: 2,2'-Biphenol‒4,4'-bipyridyl (1/1)
• Formula: C22 H18 N2 O2
• Calculated formula: C22 H18 N2 O2
• SMILES: Oc1c(cccc1)c1c(O)cccc1.c1(ccncc1)c1ccncc1
• Title of publication: Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol‒4,4'-bipyridyl (1/1)
• Authors of publication: Lavender, Emma S.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 430 - 432
• a: 10.8952 ± 0.0017 Å
• b: 9.9647 ± 0.001 Å
• c: 16.288 ± 0.004 Å
• α: 90°
• β: 93.982 ± 0.012°
• γ: 90°
• Cell volume: 1764.1 ± 0.5 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: 0.1111
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes