Information card for entry 2228427

Structure parameters

• Chemical name: <i>N</i>-(3,9-dimethyl-4-phenyl-2,5-dioxo-3,4-dihydro- 2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-3-yl)-<i>N</i>-methylbenzamide methanol monosolvate
• Formula: C29 H27 N O6
• Calculated formula: C29 H27 N O6
• Title of publication: A functionalized enol lactone containing a protected α-amino acid
• Authors of publication: Bruno, Giuseppe; Nicoló, Francesco; Cordaro, Massimiliano; Grassi, Giovanni; Risitano, Francesco
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3356
• a: 10.7435 ± 0.0014 Å
• b: 9.9056 ± 0.0017 Å
• c: 23.298 ± 0.003 Å
• α: 90°
• β: 94.817 ± 0.007°
• γ: 90°
• Cell volume: 2470.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes