Information card for entry 7154875

Structure parameters

• Formula: C25 H17 N O5
• Calculated formula: C25 H17 N O5
• SMILES: O=N(=O)[C@H]1[C@H](c2ccccc2)c2c(OC\1=C/c1ccccc1)c1c(oc2=O)cccc1.O=N(=O)[C@@H]1[C@@H](c2ccccc2)c2c(=O)oc3c(c2OC\1=C/c1ccccc1)cccc3
• 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: 11.9899 ± 0.0009 Å
• b: 12.8443 ± 0.0013 Å
• c: 13.7345 ± 0.0009 Å
• α: 106.461 ± 0.007°
• β: 90.28 ± 0.006°
• γ: 95.846 ± 0.007°
• Cell volume: 2016.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1308
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.3265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No