Information card for entry 7122414

Structure parameters

• Formula: C17 H17 N O
• Calculated formula: C17 H17 N O
• Title of publication: Divergent synthesis of N-heterocycles by Pd-catalyzed controllable cyclization of vinylethylene carbonates.
• Authors of publication: Yang, Yuwen; Yang, Weibo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 86
• Pages of publication: 12182 - 12185
• a: 13.587 ± 0.006 Å
• b: 6.23 ± 0.003 Å
• c: 15.598 ± 0.007 Å
• α: 90°
• β: 92.11 ± 0.011°
• γ: 90°
• Cell volume: 1319.4 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No