Information card for entry 4030113

Structure parameters

• Formula: C38 H41 N O5
• Calculated formula: C38 H41 N O5
• SMILES: N12CCC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1
• Title of publication: Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.
• Authors of publication: Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 10487
• a: 15.0974 ± 0.0002 Å
• b: 19.1605 ± 0.0003 Å
• c: 32.7141 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9463.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No