Information card for entry 1555399

Structure parameters

• Common name: MW5128
• Chemical name: sarpong118
• Formula: C18 H22 O3
• Calculated formula: C18 H22 O3
• SMILES: [C@@]12([C@@]3(CC(=O)c4ccccc4C[C@H](CC1)[C@]3(C)CO2)O)C
• Title of publication: Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.
• Authors of publication: Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5432 - 5435
• a: 7.5988 ± 0.0004 Å
• b: 8.4424 ± 0.0004 Å
• c: 21.953 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.33 ± 0.12 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: 0.032
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No