Information card for entry 1549270

Structure parameters

• Formula: C32 H33 N O3
• Calculated formula: C32 H33 N O3
• SMILES: C1(=O)N([C@H]([C@@H](c2ccccc2)O1)c1ccccc1)C1=C([C@](C(C1=O)(CC)CC)(C)c1ccccc1)C
• Title of publication: Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.
• Authors of publication: Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 4644 - 4649
• a: 12.0961 ± 0.0004 Å
• b: 12.0961 ± 0.0004 Å
• c: 30.6664 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3885.8 ± 0.2 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No