Information card for entry 1576731

Structure parameters

• Formula: C24 H29 Br N O9 P
• Calculated formula: C24 H29 Br N O9 P
• Title of publication: Catalytic asymmetric P^(III)-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.
• Authors of publication: Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 2837 - 2846
• a: 9.0691 ± 0.0005 Å
• b: 26.0181 ± 0.0012 Å
• c: 11.561 ± 0.0006 Å
• α: 90°
• β: 111.924 ± 0.003°
• γ: 90°
• Cell volume: 2530.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0518
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9862
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No