Information card for entry 1571157

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• Title of publication: The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions
• Authors of publication: Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5277 - 5283
• a: 12.5967 ± 0.0002 Å
• b: 12.8747 ± 0.0002 Å
• c: 15.6198 ± 0.0003 Å
• α: 72.566 ± 0.002°
• β: 69.811 ± 0.001°
• γ: 75.602 ± 0.001°
• Cell volume: 2238.3 ± 0.07 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No