Information card for entry 7215764

Structure parameters

• Chemical name: 4-hydroxy-3-[phenyl-(3,4,5-tromethoxy-bezylimino)-methyl] chromen-2-one
• Formula: C26 H23 N O6
• Calculated formula: C26 H23 N O6
• Title of publication: A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis
• Authors of publication: Małecka, Magdalena; Budzisz, Elzbieta
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6654
• a: 11.4149 ± 0.0003 Å
• b: 15.5812 ± 0.0003 Å
• c: 15.0592 ± 0.0004 Å
• α: 90°
• β: 126.999 ± 0.002°
• γ: 90°
• Cell volume: 2139.09 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No