Information card for entry 1506907

Structure parameters

• Formula: C18 H26 Cl Hg N O4 S
• Calculated formula: C18 H26 Cl Hg N O4 S
• SMILES: [Hg](Cl)[C@H]1[C@@H]2O[C@@H](CC2)[C@@H](C1)C(=O)N1S(=O)(=O)C[C@@]23[C@H]1C[C@@H](CC2)C3(C)C
• Title of publication: A new nucleophilic addition/ring-closure sequence. Enantioselective synthesis of 3-deoxy-8-oxatropanes.
• Authors of publication: Nguyen, Giang; Perlmutter, Patrick; Rose, Mark L.; Vounatsos, Filisaty
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 893 - 895
• a: 6.8014 ± 0.0001 Å
• b: 12.835 ± 0.0002 Å
• c: 21.757 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.3 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections: 2.553
• Goodness-of-fit parameter for all reflections included in the refinement: 2.676
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No