Information card for entry 7156505

Structure parameters

• Formula: C18 H15 F3 N2 O3
• Calculated formula: C18 H15 F3 N2 O3
• Title of publication: Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.
• Authors of publication: Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 8011 - 8014
• a: 17.298 ± 0.002 Å
• b: 5.9353 ± 0.0008 Å
• c: 33.483 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No