Information card for entry 7201790

Structure parameters

• Common name: 2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate
• Chemical name: 2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate
• Formula: C42 H33 Cl2 N O5
• Calculated formula: C42 H33 Cl2 N O5
• 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: 8.2078 ± 0.0002 Å
• b: 24.8368 ± 0.0007 Å
• c: 9.4738 ± 0.0003 Å
• α: 90°
• β: 111.853 ± 0.001°
• γ: 90°
• Cell volume: 1792.51 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No