Information card for entry 4025743

Structure parameters

• Formula: C18 H15 Cl2 N O2
• Calculated formula: C18 H15 Cl2 N O2
• SMILES: Cl[C@@]12[C@@H](CO[C@@]1(N(c1ccccc1)C2=O)c1ccccc1)CCl.Cl[C@]12[C@H](CO[C@]1(N(c1ccccc1)C2=O)c1ccccc1)CCl
• Title of publication: Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones
• Authors of publication: Ram N. Ram; Neeraj Kumar; Nem Singh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7408 - 7411
• a: 12.976 ± 0.003 Å
• b: 17.547 ± 0.004 Å
• c: 7.4994 ± 0.0015 Å
• α: 90°
• β: 101.304 ± 0.003°
• γ: 90°
• Cell volume: 1674.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.315
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No