Information card for entry 4030366

Structure parameters

• Formula: C23 H34 N2 O4
• Calculated formula: C23 H34 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: 7.9977 ± 0.0016 Å
• b: 9.4736 ± 0.0018 Å
• c: 15.462 ± 0.003 Å
• α: 90°
• β: 101.002 ± 0.004°
• γ: 90°
• Cell volume: 1150 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No