Information card for entry 7202560

Structure parameters

• Common name: 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate
• Chemical name: 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate
• Formula: C21 H18 N O2
• Calculated formula: C21 H18 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: 6.862 ± 0.0003 Å
• b: 10.228 ± 0.0005 Å
• c: 12.58 ± 0.0006 Å
• α: 97.06 ± 0.003°
• β: 92.723 ± 0.0019°
• γ: 102.455 ± 0.005°
• Cell volume: 853.11 ± 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: 0.2706
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No