Information card for entry 7157640

Structure parameters

• Formula: C34 H26 N2 O3 S4
• Calculated formula: C34 H26 N2 O3 S4
• Title of publication: A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.
• Authors of publication: García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 32
• Pages of publication: 6328 - 6339
• a: 12.482 ± 0.0004 Å
• b: 12.8583 ± 0.0005 Å
• c: 19.5132 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3131.82 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No