Information card for entry 4030365

Structure parameters

• Formula: C25 H30 N2 O4
• Calculated formula: C25 H30 N2 O4
• Title of publication: Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.
• Authors of publication: Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 762 - 769
• a: 7.4398 ± 0.0009 Å
• b: 16.709 ± 0.002 Å
• c: 18.329 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2278.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No