Information card for entry 4027160

Structure parameters

• Common name: syn-3f_diastereomer
• Chemical name: (3RS,4RS)-N-Boc-3-amino-2-methyldec-5-yn-4-ol
• Formula: C16 H29 N O3
• Calculated formula: C16 H29 N O3
• SMILES: CCCCC#C[C@H]([C@@H](C(C)C)NC(=O)OC(C)(C)C)O.CCCCC#C[C@@H]([C@H](C(C)C)NC(=O)OC(C)(C)C)O
• Title of publication: A Palladium Iodide-Catalyzed Carbonylative Approach to Functionalized Pyrrole Derivatives
• Authors of publication: Bartolo Gabriele; Lucia Veltri; Raffaella Mancuso; Giuseppe Salerno; Sabino Maggi; Brunella Maria Aresta
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4005 - 4016
• a: 12.252 ± 0.004 Å
• b: 19.841 ± 0.009 Å
• c: 15.137 ± 0.004 Å
• α: 90°
• β: 97.94 ± 0.02°
• γ: 90°
• Cell volume: 3644 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1932
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No