Information card for entry 4033143

Structure parameters

• Formula: C14 H21 Cl O3
• Calculated formula: C14 H21 Cl O3
• SMILES: O1C(=O)C(=C[C@@H]1O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)Cl
• 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: 6.5878 ± 0.0008 Å
• b: 12.8623 ± 0.0015 Å
• c: 16.408 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.3 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No