Information card for entry 4116933

Structure parameters

• Chemical name: (2R,3R)-O-((E)-2-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)vinyl)- N,N,N',N'-tetramethylsuccinamide
• Formula: C16 H28 N2 O5
• Calculated formula: C16 H28 N2 O5
• SMILES: N(C(=O)[C@H](O/C=C/[C@@H]1[C@](O)(CCC1)C)[C@@H](O)C(=O)N(C)C)(C)C
• Title of publication: Remote Stereochemical Control of Both Reacting Centers in Ketyl-Olefin Radical Cyclizations: Involvement of a Samarium Tridentate Ligate
• Authors of publication: Gary A. Molander; J. Christopher McWilliams; Bruce C. Noll
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 1265 - 1276
• a: 6.095 ± 0.001 Å
• b: 7.659 ± 0.002 Å
• c: 10.042 ± 0.002 Å
• α: 101.89 ± 0.03°
• β: 93.06 ± 0.03°
• γ: 94.15 ± 0.03°
• Cell volume: 456.39 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.0759
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No