Information card for entry 1556907

Structure parameters

• Formula: C23 H24 N2 O5 S
• Calculated formula: C23 H24 N2 O5 S
• SMILES: C(N(C(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccccc1
• Title of publication: Readily accessible sp³-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
• Authors of publication: Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1636 - 1642
• a: 30.4605 ± 0.0006 Å
• b: 11.6596 ± 0.0002 Å
• c: 6.1159 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2172.11 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No