Information card for entry 7202564

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) 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) 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: 6.151 ± 0.006 Å
• b: 9.114 ± 0.011 Å
• c: 13.112 ± 0.002 Å
• α: 95.93 ± 0.05°
• β: 93.28 ± 0.05°
• γ: 100.18 ± 0.06°
• Cell volume: 717.5 ± 1.1 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: 0.2102
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.3794
• Weighted residual factors for all reflections included in the refinement: 0.4203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No