Information card for entry 7157926

Structure parameters

• Formula: C17 H17 N O6
• Calculated formula: C17 H17 N O6
• Title of publication: Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.
• Authors of publication: Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 2663 - 2667
• a: 7.18 ± 0.003 Å
• b: 8.862 ± 0.004 Å
• c: 12.266 ± 0.006 Å
• α: 84.056 ± 0.017°
• β: 84.296 ± 0.015°
• γ: 84.884 ± 0.014°
• Cell volume: 770 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No