Information card for entry 7211805

Structure parameters

• Common name: 2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine
• Chemical name: 2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine
• Formula: C31 H23 N5 O6
• Calculated formula: C31 H23 N5 O6
• SMILES: O(c1nc(Oc2ccc(O)cc2)nc(Oc2ccc(O)cc2)n1)c1ccc(O)cc1.n1ccc(c2ccncc2)cc1
• Title of publication: Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine
• Authors of publication: Saha, Binoy K.; Bhattacharya, Suman
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2369
• a: 9.534 ± 0.002 Å
• b: 10.294 ± 0.003 Å
• c: 15.627 ± 0.005 Å
• α: 74.53 ± 0.005°
• β: 81.411 ± 0.005°
• γ: 64.073 ± 0.004°
• Cell volume: 1328.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No