Information card for entry 7245518

Structure parameters

• Formula: C21 H16 Cl N O3
• Calculated formula: C21 H16 Cl N O3
• SMILES: ClC1=C(CC2N(c3ccccc3)C(=O)CC2)C(=O)c2c(C1=O)cccc2
• Title of publication: Silver-catalyzed cascade cyclization and functionalization of N-aryl-4-pentenamides: an efficient route to γ-lactam-substituted quinone derivatives
• Authors of publication: Fang, Zeguo; Xie, Lin; Wang, Liang; Zhang, Qian; Li, Dong
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 26776 - 26780
• a: 8.919 ± 0.0003 Å
• b: 24.119 ± 0.0008 Å
• c: 16.1511 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3474.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No