Information card for entry 7227415

Structure parameters

• Formula: C3 H6 N2 O3
• Calculated formula: C3 H6 N2 O3
• Title of publication: Lewis Acid stabilization and Activation of Primary N-Nitrosamides
• Authors of publication: Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott
• Journal of publication: RSC Adv.
• Year of publication: 2017
• a: 4.7863 ± 0.0015 Å
• b: 6.0338 ± 0.0019 Å
• c: 9.375 ± 0.003 Å
• α: 90°
• β: 99.945 ± 0.003°
• γ: 90°
• Cell volume: 266.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No