Information card for entry 1549271

Structure parameters

• Formula: C32 H33 N O3
• Calculated formula: C32 H33 N O3
• SMILES: C1(=O)N([C@H]([C@@H](c2ccccc2)O1)c1ccccc1)[C@@H]1C(=O)C(=C\C)\[C@]([C@]1(C)c1ccccc1)(CC)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: 10.2041 ± 0.0002 Å
• b: 12.0967 ± 0.0002 Å
• c: 10.8841 ± 0.0002 Å
• α: 90°
• β: 109.609 ± 0.002°
• γ: 90°
• Cell volume: 1265.57 ± 0.04 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No