Information card for entry 7202562

Structure parameters

• Common name: 1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2- (1H)-pyridone) clathrate
• Chemical name: 1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2-(1H)-pyridone) clathrate
• Formula: C21 H18 N O2
• Calculated formula: C21 H17.16 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: 8.4564 ± 0.0004 Å
• b: 10.8394 ± 0.0004 Å
• c: 11.3593 ± 0.0006 Å
• α: 64.012 ± 0.003°
• β: 79.957 ± 0.002°
• γ: 68.499 ± 0.002°
• Cell volume: 870.69 ± 0.07 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: 0.0756
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No