Information card for entry 4036248

Structure parameters

• Formula: C16 H22.25 O7.13
• Calculated formula: C16 H22.26 O7.13
• Title of publication: General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.
• Authors of publication: Häcker, Christine; Plietker, Bernd
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 16
• Pages of publication: 8055 - 8064
• a: 5.8884 ± 0.0007 Å
• b: 14.8186 ± 0.0016 Å
• c: 19.816 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No