Information card for entry 7239644

Structure parameters

• Formula: C16 H15 N O6
• Calculated formula: C16 H15 N O6
• Title of publication: Asymmetric Diels‒Alder reaction of 3-(acyloxy)acryloyl oxazolidinones: optically active synthesis of a high-affinity ligand for potent HIV-1 protease inhibitors
• Authors of publication: Ghosh, Arun K.; Grillo, Alessandro; Kovela, Satish; Brindisi, Margherita
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 71
• Pages of publication: 41755
• a: 6.8717 ± 0.0004 Å
• b: 7.659 ± 0.0004 Å
• c: 14.4338 ± 0.0007 Å
• α: 90°
• β: 101.854 ± 0.002°
• γ: 90°
• Cell volume: 743.46 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1182
• 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