Information card for entry 1504541

Structure parameters

• Formula: C16 H21 N O3 S2
• Calculated formula: C16 H21 N O3 S2
• SMILES: S1C(=S)N([C@H]2c3ccccc3C[C@@H]12)C(=O)C[C@@H](O)CCC.O
• Title of publication: Indene-based thiazolidinethione chiral auxiliary for propionate and acetate aldol additions.
• Authors of publication: Osorio-Lozada, Antonio; Olivo, Horacio F.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 617 - 620
• a: 4.7392 ± 0.0006 Å
• b: 11.8411 ± 0.0013 Å
• c: 29.781 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No