Information card for entry 4025745

Structure parameters

• Formula: C25 H21 Cl2 N O2
• Calculated formula: C25 H21 Cl2 N O2
• SMILES: ClC1(Cl)C(=O)N([C@@]1(O[C@@H](/C=C/c1ccccc1)C)c1ccccc1)c1ccccc1.ClC1(Cl)C(=O)N([C@]1(O[C@H](/C=C/c1ccccc1)C)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: 17.803 ± 0.006 Å
• b: 9.984 ± 0.003 Å
• c: 25.3 ± 0.009 Å
• α: 90°
• β: 103.671 ± 0.006°
• γ: 90°
• Cell volume: 4370 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1444
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No