Information card for entry 4023621

Structure parameters

• Formula: C19 H22 B F4 N O3
• Calculated formula: C19 H22 B F4 N O3
• SMILES: C1CC2OC[C@H]3[N+]=2[C@@]2(c4c(C3)cc(OC)c(OC)c4)C=CC[C@@H]12.[B](F)(F)(F)[F-]
• 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: 7.3197 ± 0.0005 Å
• b: 9.0804 ± 0.0006 Å
• c: 28.5357 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1896.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.6904 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No