Information card for entry 7153060

Structure parameters

• Common name: Mattson 1932
• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: [C@@H]1(C[C@@H]([C@@H](c2ccccc2)N(c2ccccc2)O1)N(=O)=O)c1ccccc1
• Title of publication: Urea-catalyzed construction of oxazinanes.
• Authors of publication: Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 35
• Pages of publication: 5793 - 5797
• a: 7.3566 ± 0.0002 Å
• b: 8.0059 ± 0.0002 Å
• c: 9.006 ± 0.0002 Å
• α: 65.624 ± 0.001°
• β: 71.772 ± 0.002°
• γ: 81.292 ± 0.002°
• Cell volume: 458.74 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No