Information card for entry 1507719

Structure parameters

• Formula: C27 H21 N O6
• Calculated formula: C27 H21 N O6
• SMILES: O1c2cc3C4N(Cc5c(C4=CCc3cc2OC1)ccc1OCOc51)C(=O)OCc1ccccc1
• Title of publication: Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade.
• Authors of publication: Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2742 - 2745
• a: 42.39 ± 0.02 Å
• b: 13.376 ± 0.006 Å
• c: 7.32 ± 0.003 Å
• α: 90°
• β: 90.696 ± 0.012°
• γ: 90°
• Cell volume: 4150 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No