Information card for entry 7202566

Structure parameters

• Common name: 1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)- pyridone) clathrate
• Chemical name: 1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)-pyridone) clathrate
• Formula: C20 H16 N O2
• Calculated formula: C20 H16 N O2
• Title of publication: Channels formation through photodimerization of guest molecules within solid inclusion compounds
• Authors of publication: Lavy, Tali; Kaftory, Menahem
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 123
• a: 7.7919 ± 0.0002 Å
• b: 8.0674 ± 0.0003 Å
• c: 13.4552 ± 0.0006 Å
• α: 85.0897 ± 0.0014°
• β: 75.6634 ± 0.0013°
• γ: 81.16 ± 0.002°
• Cell volume: 808.73 ± 0.05 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: 0.0594
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No