Information card for entry 1512368

Structure parameters

• Common name: Mattson 1963
• Formula: C11 H12 N2 O3
• Calculated formula: C11 H12 N2 O3
• SMILES: c12C(=N\N(=O)=O)\CCCc1cc(cc2)OC
• Title of publication: Urea Activation of Nitrimines: A Mild, Metal-Free Approach to Sterically Hindered Enamines.
• Authors of publication: Nickerson, David M.; Angeles, Veronica V.; Mattson, Anita E.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5000 - 5003
• a: 13.0629 ± 0.0003 Å
• b: 11.4911 ± 0.0004 Å
• c: 14.3136 ± 0.0005 Å
• α: 90°
• β: 101.608 ± 0.002°
• γ: 90°
• Cell volume: 2104.63 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No