Information card for entry 7156881

Structure parameters

• Formula: C24 H35 N O6
• Calculated formula: C24 H35 N O6
• Title of publication: Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.
• Authors of publication: Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 5997 - 6006
• a: 19.9226 ± 0.0004 Å
• b: 12.6653 ± 0.0003 Å
• c: 18.9998 ± 0.0004 Å
• α: 90°
• β: 101.605 ± 0.001°
• γ: 90°
• Cell volume: 4696.13 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0336
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No