Information card for entry 7124676

Structure parameters

• Chemical name: (2S,3R)-2-nitro-2,3-diphenyloxirane
• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• Title of publication: Catalytic enantioselective epoxidation of nitroalkenes.
• Authors of publication: Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 65
• Pages of publication: 10060 - 10063
• a: 8.6028 ± 0.0003 Å
• b: 6.2292 ± 0.0003 Å
• c: 11.4861 ± 0.0004 Å
• α: 90°
• β: 94.415 ± 0.003°
• γ: 90°
• Cell volume: 613.7 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No