Information card for entry 4023620

Structure parameters

• Formula: C20 H27 Cl2 N O4
• Calculated formula: C20 H27 Cl2 N O4
• SMILES: N12C(=O)CC[C@@H]3CCC[C@]13c1cc(c(cc1C[C@H]2CO)OC)OC.ClCCl
• Title of publication: Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets
• Authors of publication: Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6448 - 6451
• a: 7.5974 ± 0.0006 Å
• b: 8.9918 ± 0.0007 Å
• c: 14.688 ± 0.0012 Å
• α: 90°
• β: 94.5685 ± 0.0013°
• γ: 90°
• Cell volume: 1000.21 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No