Information card for entry 4518145

Structure parameters

• Formula: C20 H19 Cl N2 O2
• Calculated formula: C20 H19 Cl N2 O2
• Title of publication: Visible-Light-Induced Dearomatization via [2+2] Cycloaddition or 1,5-Hydrogen Atom Transfer: Divergent Reaction Pathways of Transient Diradicals
• Authors of publication: Zhu, Min; Zhang, Xiao; Zheng, Chao; You, Shu-Li
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 12618 - 12626
• a: 8.425 ± 0.002 Å
• b: 13.085 ± 0.003 Å
• c: 16.325 ± 0.004 Å
• α: 90°
• β: 104.597 ± 0.007°
• γ: 90°
• Cell volume: 1741.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No