Information card for entry 1575891

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• Title of publication: Modular and diverse synthesis of oxaheterocycles <i>via</i> Pd-catalyzed migratory 1,<i>n</i>-cycloannulation of alkenes.
• Authors of publication: Wang, Jin-Ping; Wu, Yichen; Wang, Peng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20292 - 20299
• a: 10.7496 ± 0.0004 Å
• b: 20.9208 ± 0.0008 Å
• c: 11.5152 ± 0.0005 Å
• α: 90°
• β: 94.472 ± 0.001°
• γ: 90°
• Cell volume: 2581.77 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1232
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No