Information card for entry 1542691

Structure parameters

• Formula: C14 H17 F N2 O2 S
• Calculated formula: C14 H17 F N2 O2 S
• SMILES: S(=O)(N1[C@@]2(c3c(N(C2=O)C)c(F)ccc3)C1)C(C)(C)C
• Title of publication: Synthesis of Chiral Spiro-Aziridine Oxindoles via Aza-Corey-Chaykovsky Reaction of Isatin Derived N-tert-Butanesulfinyl Ketimines.
• Authors of publication: Hajra, Saumen; Aziz, Sk Mohammad; Jana, Bibekananda; Mahish, Prosenjit; Das, Dhiraj
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 532 - 535
• a: 5.8834 ± 0.0013 Å
• b: 11.064 ± 0.002 Å
• c: 11.101 ± 0.002 Å
• α: 90°
• β: 102.611 ± 0.006°
• γ: 90°
• Cell volume: 705.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No