Information card for entry 4518266

Structure parameters

• Formula: C12 H15 N O6
• Calculated formula: C12 H15 N O6
• Title of publication: Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Nonenzymatic, Catalytic Method for Coupling Tyrosine
• Authors of publication: Niederer, Kyle A.; Gilmartin, Philip H.; Kozlowski, Marisa C.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 14615 - 14623
• a: 8.3518 ± 0.0007 Å
• b: 9.1518 ± 0.0008 Å
• c: 9.0312 ± 0.0009 Å
• α: 90°
• β: 112.947 ± 0.003°
• γ: 90°
• Cell volume: 635.67 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No