Information card for entry 2100233

Structure parameters

• Common name: quinol:2(4,4'-bipyridine)
• Formula: C26 H22 N4 O2
• Calculated formula: C26 H22 N4 O2
• SMILES: n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.Oc1ccc(cc1)O
• Title of publication: Formation of quinol co-crystals with hydrogen-bond acceptors
• Authors of publication: Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 46 - 57
• a: 7.82 ± 0.004 Å
• b: 8.619 ± 0.004 Å
• c: 9.201 ± 0.004 Å
• α: 111.897 ± 0.007°
• β: 109.851 ± 0.007°
• γ: 94.657 ± 0.008°
• Cell volume: 525.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0632
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes