Information card for entry 2017178

Structure parameters

• Chemical name: 4,4',4''-(ethane-1,1,1-triyl)triphenol‒6-methyl-2-(1<i>H</i>)-pyridone‒water (1/3/1)
• Formula: C38 H41 N3 O7
• Calculated formula: C38 H40.52 N3 O7
• Title of publication: Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds
• Authors of publication: Telzhensky, Marina; Kaftory, Menahem
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o314 - o320
• a: 10.634 ± 0.002 Å
• b: 11.484 ± 0.002 Å
• c: 28.574 ± 0.004 Å
• α: 90°
• β: 96.43 ± 0.02°
• γ: 90°
• Cell volume: 3467.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.089
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes