Information card for entry 7114991

Structure parameters

• Formula: C50 H52 O14 W
• Calculated formula: C49.94 H30 O14 W
• Title of publication: Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)
• Authors of publication: Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1300
• a: 10.336 ± 0.001 Å
• b: 11.899 ± 0.001 Å
• c: 21.761 ± 0.003 Å
• α: 97.12 ± 0.01°
• β: 102.2 ± 0.01°
• γ: 108.51 ± 0.01°
• Cell volume: 2427.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.0835
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No