Information card for entry 7201794

Structure parameters

• Common name: 1,1,2,2-tetraphenyl-1,2-ethandiol, 1- (phenylglyoxylyl)piperidine clathrate
• Chemical name: 1,1,2,2-tetraphenyl-1,2-ethandiol, 1-(phenylglyoxylyl)piperidine clathrate
• Formula: C39 H37 N O4
• Calculated formula: C39 H37 N O4
• SMILES: OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1.N1(C(=O)C(=O)c2ccccc2)CCCCC1
• Title of publication: Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems
• Authors of publication: Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 734
• a: 9.7197 ± 0.0003 Å
• b: 20.9418 ± 0.0007 Å
• c: 15.7092 ± 0.0004 Å
• α: 90°
• β: 99.747 ± 0.003°
• γ: 90°
• Cell volume: 3151.42 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No