Information card for entry 7053254

Structure parameters

• Common name: 1:2 complex of 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene and 4,4'-bipyridine-N,N'-dioxide
• Chemical name: 1:2 complex of 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene and 4,4'-bipyridine-N,N'-dioxide
• Formula: C52 H42 N4 O8
• Calculated formula: C52 H42 N4 O8
• SMILES: c1(ccc(cc1)C(c1ccc(cc1)O)c1ccc(cc1)C(c1ccc(cc1)O)c1ccc(cc1)O)O.c1cc(ccn1=O)c1ccn(cc1)=O.c1cc(ccn1=O)c1ccn(cc1)=O
• Title of publication: Supramolecular networks of a H-shaped aromatic phenol host
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 623
• a: 20.631 ± 0.004 Å
• b: 7.1465 ± 0.0014 Å
• c: 28.309 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4173.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.2957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No