Information card for entry 7159846

Structure parameters

• Formula: C33 H25 N O5
• Calculated formula: C33 H25 N O5
• Title of publication: Vinylogous and Stereoselective Domino Synthesis of Pyrano[2,3-c]pyrroles from Alkylidene Meldrum’s acids
• Authors of publication: Savchuk, Mariia; Vo-Thanh, Giang; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 10.1201 ± 0.0002 Å
• b: 11.3054 ± 0.0003 Å
• c: 13.5515 ± 0.0003 Å
• α: 70.37 ± 0.001°
• β: 72.458 ± 0.001°
• γ: 67.802 ± 0.001°
• Cell volume: 1324.77 ± 0.05 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0655
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No