Information card for entry 7154876

Structure parameters

• Formula: C25 H17 N O5
• Calculated formula: C25 H17 N O5
• SMILES: O=c1oc2ccccc2c2OC(=C\c3ccccc3)\[C@H](N(=O)=O)[C@H](c12)c1ccccc1.O=N(=O)[C@H]1[C@@H](c2c(=O)oc3ccccc3c2O/C1=C/c1ccccc1)c1ccccc1
• Title of publication: DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.
• Authors of publication: Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1940 - 1945
• a: 9.1585 ± 0.0003 Å
• b: 15.4867 ± 0.0004 Å
• c: 15.0435 ± 0.0004 Å
• α: 90°
• β: 107.598 ± 0.003°
• γ: 90°
• Cell volume: 2033.84 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No