Information card for entry 7152495

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• Title of publication: Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.
• Authors of publication: Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 6201 - 6210
• a: 7.633 ± 0.002 Å
• b: 8.046 ± 0.002 Å
• c: 14.859 ± 0.005 Å
• α: 77.08 ± 0.02°
• β: 88.83 ± 0.02°
• γ: 62.32 ± 0.02°
• Cell volume: 784 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2177
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2413
• Weighted residual factors for all reflections included in the refinement: 0.3108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No