Information card for entry 4031996

Structure parameters

• Formula: C23 H23 N O4
• Calculated formula: C23 H23 N O4
• SMILES: O(c1cc(c2cc(nc(c2)C(=O)OCC)c2ccc(C)cc2)c(OC)cc1)C
• Title of publication: Access to 4,6-Diarylpicolinates via a Domino Reaction of Cyclic Sulfamidate Imines with Morita-Baylis-Hillman Acetates of Nitroolefins/Nitrodienes.
• Authors of publication: Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 4378 - 4385
• a: 20.1569 ± 0.0013 Å
• b: 7.495 ± 0.0006 Å
• c: 13.1446 ± 0.0005 Å
• α: 90°
• β: 95.77 ± 0.007°
• γ: 90°
• Cell volume: 1975.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No