Information card for entry 4025747

Structure parameters

• Formula: C20 H19 Cl2 N O2
• Calculated formula: C20 H19 Cl2 N O2
• SMILES: Cl[C@]12[C@](OCC[C@](Cl)(C1)C)(N(c1ccccc1)C2=O)c1ccccc1.Cl[C@@]12[C@@](OCC[C@@](Cl)(C1)C)(N(c1ccccc1)C2=O)c1ccccc1
• 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: 11.291 ± 0.005 Å
• b: 15.222 ± 0.007 Å
• c: 21.328 ± 0.01 Å
• α: 90°
• β: 96.717 ± 0.009°
• γ: 90°
• Cell volume: 3641 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.615
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No