Information card for entry 1571159

Structure parameters

• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• 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: 15.6843 ± 0.0002 Å
• b: 6.33089 ± 0.00007 Å
• c: 15.89366 ± 0.00018 Å
• α: 90°
• β: 114.758 ± 0.0015°
• γ: 90°
• Cell volume: 1433.11 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No