Information card for entry 7124675

Structure parameters

• Chemical name: 2-methyl-2-nitro-3-phenyloxirane
• Formula: C9 H9 N O3
• Calculated formula: C9 H9 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: 5.43 ± 0.0002 Å
• b: 7.8748 ± 0.0005 Å
• c: 20.6997 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 885.12 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No