Information card for entry 2007764

Structure parameters

• Chemical name: 1,1,1-Tris(4-hydroxyphenyl)ethane-4,4'-bipyridyl (2/3)
• Formula: C70 H60 N6 O6
• Calculated formula: C70 H60 N6 O6
• SMILES: n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.CC(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O.CC(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O
• Title of publication: Tenfold Interpenetration of Giant Hexagonal <i>R</i>^12^~12~(126) Nets in the Hydrogen-Bonded Structure of 1,1,1-Tris(4-hydroxyphenyl)ethane–4,4'-Bipyridyl (2/3)
• Authors of publication: Bényei, Attila C.; Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Meehan, Paul R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1515 - 1519
• a: 29.1351 ± 0.0009 Å
• b: 10.4189 ± 0.0002 Å
• c: 20.0512 ± 0.0006 Å
• α: 90°
• β: 116.766 ± 0.001°
• γ: 90°
• Cell volume: 5434.5 ± 0.3 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No