Information card for entry 7239321

Structure parameters

• Formula: C16 H12 Cl N O
• Calculated formula: C16 H12 Cl N O
• Title of publication: CuI-catalyzed cross-coupling of diazoacetamide with terminal alkynes: an approach to synthesizing substituted dienamides and 3-butynamides
• Authors of publication: Li, Jian; Ding, Dong; Liu, Li; Sun, Jiangtao
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 21260
• a: 4.882 ± 0.005 Å
• b: 28.92 ± 0.03 Å
• c: 9.203 ± 0.01 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 1295 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No