Information card for entry 4025746

Structure parameters

• Formula: C19 H15 Cl2 N O2
• Calculated formula: C19 H15 Cl2 N O2
• SMILES: Cl[C@@]12C(=C(\Cl)C)\CO[C@]2(N(C1=O)c1ccccc1)c1ccccc1.Cl[C@]12C(=C(\Cl)C)\CO[C@@]2(N(C1=O)c1ccccc1)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: 27.27 ± 0.004 Å
• b: 7.7951 ± 0.0012 Å
• c: 18.08 ± 0.003 Å
• α: 90°
• β: 115.837 ± 0.002°
• γ: 90°
• Cell volume: 3459.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No