Information card for entry 1545946

Structure parameters

• Formula: C19 H16 Cl2 N2 O4
• Calculated formula: C19 H16 Cl2 N2 O4
• SMILES: ClC1(Cl)C(=O)N2C[C@H]([C@@H]3C[C@H]2[C@]21C(=Nc1c2cccc1)C3=O)CC(=O)OC
• Title of publication: Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.
• Authors of publication: Gammack Yamagata, Adam D.; Dixon, Darren J.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1894 - 1897
• a: 6.4551 ± 0.0002 Å
• b: 13.9906 ± 0.0003 Å
• c: 19.732 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.01 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9348
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No