Information card for entry 1503467

Structure parameters

• Formula: C25 H26 N2 O5
• Calculated formula: C25 H26 N2 O5
• SMILES: N1[C@H]2[C@@]3(C[C@@H](N([C@@H]3CC(=O)[C@H]2C(=O)OC)Cc2ccccc2)C(=O)OC)c2ccccc12
• Title of publication: Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.
• Authors of publication: Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 181 - 188
• a: 10.9243 ± 0.0019 Å
• b: 7.6452 ± 0.0013 Å
• c: 13.624 ± 0.002 Å
• α: 90°
• β: 92.005 ± 0.003°
• γ: 90°
• Cell volume: 1137.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No