Information card for entry 7152772

Structure parameters

• Formula: C20 H26 N4 O4
• Calculated formula: C20 H26 N4 O4
• Title of publication: Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.
• Authors of publication: Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1468 - 1475
• a: 10.508 ± 0.0006 Å
• b: 11.686 ± 0.0006 Å
• c: 16.647 ± 0.001 Å
• α: 81.989 ± 0.002°
• β: 90.159 ± 0.003°
• γ: 78.388 ± 0.003°
• Cell volume: 1981.81 ± 0.19 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: 0.2588
• Residual factor for significantly intense reflections: 0.1792
• Weighted residual factors for significantly intense reflections: 0.3768
• Weighted residual factors for all reflections included in the refinement: 0.4211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No