Information card for entry 7201797

Structure parameters

• Formula: C39 H37 N O4
• Calculated formula: C39 H37 N O4
• SMILES: OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1.N12C(=O)[C@](O)(c3ccccc3)[C@@H]1CCCC2.OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1.N12C(=O)[C@@](O)(c3ccccc3)[C@H]1CCCC2
• 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: 9.784 ± 0.002 Å
• b: 20.538 ± 0.004 Å
• c: 15.533 ± 0.003 Å
• α: 90°
• β: 100.602 ± 0.008°
• γ: 90°
• Cell volume: 3068 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2813
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.31
• Weighted residual factors for all reflections included in the refinement: 0.378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No