Information card for entry 1555398

Structure parameters

• Common name: MW5-023
• Chemical name: sarpong110
• Formula: C19 H26 O2
• Calculated formula: C19 H26 O2
• SMILES: [C@]12(CC[C@H]([C@](CO2)(C1=O)C)Cc1ccccc1C(C)C)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: 7.2207 ± 0.0006 Å
• b: 10.6225 ± 0.0008 Å
• c: 10.6751 ± 0.0008 Å
• α: 90°
• β: 101.193 ± 0.004°
• γ: 90°
• Cell volume: 803.23 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No