Information card for entry 1571158

Structure parameters

• Formula: C29 H26 N2 O5
• Calculated formula: C29 H26 N2 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: 13.83436 ± 0.00015 Å
• b: 11.10289 ± 0.0001 Å
• c: 20.5729 ± 0.0002 Å
• α: 90°
• β: 109.093 ± 0.0012°
• γ: 90°
• Cell volume: 2986.18 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No