Information card for entry 7153059

Structure parameters

• Common name: Mattson 1934
• Formula: C24 H22 N2 O5
• Calculated formula: C24 H22 N2 O5
• SMILES: [C@H]1(C[C@@]([C@H](c2ccccc2)N(c2ccccc2)O1)(C(=O)OC)N(=O)=O)c1ccccc1.[C@@H]1(C[C@]([C@@H](c2ccccc2)N(c2ccccc2)O1)(C(=O)OC)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: 8.2132 ± 0.0001 Å
• b: 8.738 ± 0.0001 Å
• c: 15.5338 ± 0.0003 Å
• α: 84.567 ± 0.001°
• β: 79.398 ± 0.001°
• γ: 67.733 ± 0.001°
• Cell volume: 1013.69 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No