Information card for entry 7103820

Structure parameters

• Chemical name: N-Methyl-N-(3,7,7-trimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydro-2H -chromen-3-yl)-benzamide
• Formula: C26 H27 N O4
• Calculated formula: C26 H27 N O4
• Title of publication: Regio and diastereoselective lactonisation of enolisable 1,3-dicarbonyls by reaction with mesoionic 1,3-oxazolium-5-olates
• Authors of publication: Grassi, Giovanni; Risitano, Francesco; Foti, Francesco; Cordaro, Massimiliano; Bruno, Giuseppe; Nicolò, Francesco
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1868 - 1869
• a: 10.3788 ± 0.0009 Å
• b: 6.4952 ± 0.0007 Å
• c: 16.451 ± 0.002 Å
• α: 90°
• β: 92.587 ± 0.008°
• γ: 90°
• Cell volume: 1107.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No