Information card for entry 4028226

Structure parameters

• Formula: C24 H34 N2 O5
• Calculated formula: C24 H34 N2 O5
• SMILES: O1C(=O)N(C(=O)[C@H](C[C@H]2N(CCCC2)C(=O)OC(C)(C)C)C)[C@H](C1)Cc1ccccc1
• Title of publication: Enantioselective Approach to Quinolizidines: Total Synthesis of Cermizine D and Formal Syntheses of Senepodine G and Cermizine C
• Authors of publication: Nagarathanam Veerasamy; Erik C. Carlson; Nathan D. Collett; Mrinmoy Saha; Rich G. Carter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4779 - 4800
• a: 10.306 ± 0.002 Å
• b: 10.45 ± 0.002 Å
• c: 11.48 ± 0.003 Å
• α: 90°
• β: 104.939 ± 0.004°
• γ: 90°
• Cell volume: 1194.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No