Information card for entry 7159846

Structure parameters

• Formula: C33 H25 N O5
• Calculated formula: C33 H25 N O5
• SMILES: c1ccccc1N1C(=O)[C@@]2(c3ccccc3)[C@@H]([C@H]1c1ccccc1)C(=C(C(=O)O2)C(=O)OC)c1ccccc1.c1ccccc1N1C(=O)[C@]2(c3ccccc3)[C@H]([C@@H]1c1ccccc1)C(=C(C(=O)O2)C(=O)OC)c1ccccc1
• Title of publication: Vinylogous and stereoselective domino synthesis of pyrano[2,3-<i>c</i>]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
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 2948 - 2952
• 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