Information card for entry 1555401

Structure parameters

• Common name: MW5-085
• Chemical name: sarpong114
• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• SMILES: [C@@H]1(C(=O)[C@]([C@@H]2Cc3c(c4c(cccc4)n3C)[C@H]1C2)(C)CO)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: 7.5354 ± 0.0006 Å
• b: 8.5029 ± 0.0008 Å
• c: 11.9989 ± 0.0011 Å
• α: 90°
• β: 90.259 ± 0.006°
• γ: 90°
• Cell volume: 768.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No