Information card for entry 2007866

Structure parameters

• Chemical name: 1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2)
• Formula: C26 H22 N4 O3
• Calculated formula: C26 H22 N4 O3
• SMILES: Oc1cc(O)cc(O)c1.n1c(cccc1)c1ncccc1.n1c(cccc1)c1ncccc1
• Title of publication: 1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2): a Hydrogen-Bonded Structure Based on a Stem-and-Leaves Motif
• Authors of publication: Lavender, Emma S.; Glidewell, Christopher; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1637 - 1639
• a: 13.7975 ± 0.0013 Å
• b: 11.9811 ± 0.0007 Å
• c: 14.261 ± 0.002 Å
• α: 90°
• β: 110.516 ± 0.01°
• γ: 90°
• Cell volume: 2208 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No