Information card for entry 7105255

Structure parameters

• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• SMILES: Clc1ccc(N2C(=O)[C@@]3(OC=C[C@H]23)c2ccccc2)cc1.Clc1ccc(N2C(=O)[C@]3(OC=C[C@@H]23)c2ccccc2)cc1
• Title of publication: Ag-containing all-carbon 1,3-dipoles: generation and formal cycloaddition for furo[3,2-b]-β/γ-lactams
• Authors of publication: Zhang, Zhiguo; Zhang, Qian; Ni, Zhikun; Liu, Qun
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 1269
• a: 16.718 ± 0.005 Å
• b: 5.683 ± 0.005 Å
• c: 14.78 ± 0.005 Å
• α: 90°
• β: 92.722 ± 0.005°
• γ: 90°
• Cell volume: 1402.6 ± 1.4 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: 0.1189
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No