Information card for entry 4133616

Structure parameters

• Formula: C31 H31 N O3
• Calculated formula: C31 H31 N O3
• SMILES: O1c2cc3[C@]4([C@H]([C@@H](C(=C4c4cc5[nH]c6c(c5cc4)cccc6)C)C)CCc3cc2OC1)CCCO.O1c2cc3[C@@]4([C@@H]([C@H](C(=C4c4cc5[nH]c6c(c5cc4)cccc6)C)C)CCc3cc2OC1)CCCO
• Title of publication: Cationic Cascade for Building Complex Polycyclic Molecules from Simple Precursors: Diastereoselective Installation of Three Contiguous Stereogenic Centers in a One-Pot Process.
• Authors of publication: Alachouzos, Georgios; Frontier, Alison J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 118 - 122
• a: 8.2078 ± 0.0002 Å
• b: 9.4326 ± 0.0002 Å
• c: 16.1782 ± 0.0004 Å
• α: 102.743 ± 0.002°
• β: 104.147 ± 0.002°
• γ: 97.677 ± 0.002°
• Cell volume: 1161.12 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No