Information card for entry 1507720

Structure parameters

• Common name: 12089a
• Formula: C19 H17 N O5
• Calculated formula: C19 H17 N O5
• SMILES: O[C@H]1[C@H]2[C@H](NCc3c4OCOc4ccc23)c2c(C1)cc1OCOc1c2.O[C@@H]1[C@@H]2[C@@H](NCc3c4OCOc4ccc23)c2c(C1)cc1OCOc1c2
• 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: 7.3309 ± 0.0007 Å
• b: 9.447 ± 0.0009 Å
• c: 11.4605 ± 0.0011 Å
• α: 82.166 ± 0.001°
• β: 78 ± 0.001°
• γ: 82.39 ± 0.001°
• Cell volume: 764.66 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No