Information card for entry 4033029

Structure parameters

• Formula: C16 H19 N O5
• Calculated formula: C16 H19 N O5
• Title of publication: Structure-Based Kinetic Control in a Domino Process: A Powerful Tool Toward Molecular Diversity in Chromone Series.
• Authors of publication: Lepitre, Thomas; Denhez, Clement; Moncol, Jan; Othman, Mohamed; Lawson, Ata Martin; Daïch, Adam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12188 - 12201
• a: 5.0386 ± 0.0003 Å
• b: 24.2827 ± 0.0013 Å
• c: 12.1901 ± 0.0006 Å
• α: 90°
• β: 94.863 ± 0.004°
• γ: 90°
• Cell volume: 1486.1 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0532
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No