Information card for entry 7248591

Structure parameters

• Formula: C10 H12 N2 O4
• Calculated formula: C10 H12 N2 O4
• Title of publication: Sequential Glaser reaction-diastereoselective cyclocarboxylation of propargylamines with CO2: A green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization
• Authors of publication: Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, francesco; Della Ca', Nicola
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 6.6549 ± 0.0003 Å
• b: 12.8056 ± 0.0005 Å
• c: 6.6575 ± 0.0003 Å
• α: 90°
• β: 116.973 ± 0.002°
• γ: 90°
• Cell volume: 505.64 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No