Information card for entry 1555400

Structure parameters

• Common name: kro4-035
• Chemical name: sarpong115
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: [C@@H]1([C@H]2c3c[nH]c4cccc(C[C@@H]([C@@](C1=O)(C)COC(=O)C)C2)c34)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: 7.2672 ± 0.0002 Å
• b: 12.3762 ± 0.0004 Å
• c: 18.5597 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No