Information card for entry 7125308

Structure parameters

• Formula: C22 H25 N O5
• Calculated formula: C22 H25 N O5
• Title of publication: Umpolung synthesis of branched α-functionalized amines from imines via photocatalytic three-component reductive coupling reactions.
• Authors of publication: Fuentes de Arriba, Angel L.; Urbitsch, Felix; Dixon, Darren J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 100
• Pages of publication: 14434 - 14437
• a: 6.2373 ± 0.0003 Å
• b: 36.3214 ± 0.0019 Å
• c: 8.6667 ± 0.0003 Å
• α: 90°
• β: 94.598 ± 0.004°
• γ: 90°
• Cell volume: 1957.1 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No