Information card for entry 7153061

Structure parameters

• Common name: Mattson 1956
• Formula: C24 H21 Cl N2 O5
• Calculated formula: C24 H21 Cl N2 O5
• SMILES: [C@@H]1(C[C@@]([C@@H](c2ccc(cc2)Cl)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: 8.5784 ± 0.00001 Å
• b: 15.2797 ± 0.0002 Å
• c: 16.5909 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.66 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No