Information card for entry 7158192

Structure parameters

• Formula: C17 H14 Cl N O4
• Calculated formula: C17 H14 Cl N O4
• Title of publication: Access to benzene-modified 2^nd generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.
• Authors of publication: Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 33
• Pages of publication: 7141 - 7146
• a: 11.168 ± 0.002 Å
• b: 15.73 ± 0.002 Å
• c: 18.35 ± 0.003 Å
• α: 90°
• β: 105.575 ± 0.013°
• γ: 90°
• Cell volume: 3105.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No