Information card for entry 1547169

Structure parameters

• Formula: C19 H27 N O2 S
• Calculated formula: C19 H27 N O2 S
• SMILES: S(/N=C1/c2c(cccc2)CC[C@H]1[C@@H](O)C(=C)CC)(=O)C(C)(C)C
• Title of publication: Stereodivergent Synthesis of Pseudotabersonine Alkaloids.
• Authors of publication: Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5356 - 5359
• a: 7.4989 ± 0.0002 Å
• b: 11.9755 ± 0.0003 Å
• c: 20.6566 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.03 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No