Information card for entry 7129775

Structure parameters

• Formula: C21 H28 B N O2 S2
• Calculated formula: C21 H28 B N O2 S2
• Title of publication: SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration
• Authors of publication: Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.9771 ± 0.0004 Å
• b: 11.5337 ± 0.0004 Å
• c: 17.6262 ± 0.0006 Å
• α: 90°
• β: 104.46 ± 0.001°
• γ: 90°
• Cell volume: 2160.9 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No