Information card for entry 4033145

Structure parameters

• Formula: C23 H33 N2 O3 S
• Calculated formula: C23 H33 N2 O3 S
• SMILES: S(=O)(=O)(N/N=C\1[C@@H]2[C@@](O)(C)CC[C@H]2C(CCC1)(C)C)c1ccc(cc1)C.c1ccccc1
• Title of publication: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.
• Authors of publication: Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 15.0629 ± 0.0016 Å
• b: 17.1594 ± 0.0018 Å
• c: 18.0137 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4656 ± 0.9 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No