Information card for entry 7248593

Structure parameters

• Formula: C36 H36 N3 O9
• Calculated formula: C36 H36 N3 O9
• 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
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 6429 - 6435
• a: 6.0202 ± 0.0003 Å
• b: 13.4077 ± 0.0007 Å
• c: 19.4725 ± 0.0012 Å
• α: 97.433 ± 0.005°
• β: 91.503 ± 0.004°
• γ: 92.772 ± 0.004°
• Cell volume: 1555.89 ± 0.15 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2498
• Weighted residual factors for all reflections included in the refinement: 0.2952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No