Information card for entry 4025744

Structure parameters

• Formula: C24 H19 Cl2 N O2
• Calculated formula: C24 H19 Cl2 N O2
• SMILES: Cl[C@]12C(=O)N([C@@]2(OC[C@@H]1[C@@H](Cl)c1ccccc1)c1ccccc1)c1ccccc1.Cl[C@@]12C(=O)N([C@]2(OC[C@H]1[C@H](Cl)c1ccccc1)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: 11.4549 ± 0.0011 Å
• b: 16.0115 ± 0.0016 Å
• c: 11.6598 ± 0.0012 Å
• α: 90°
• β: 104.85 ± 0.002°
• γ: 90°
• Cell volume: 2067.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No