Information card for entry 1576528

Structure parameters

• Formula: C20 H25 N3 O4
• Calculated formula: C20 H25 N3 O4
• Title of publication: N-terminal protein-macrocycles enabled by conjugate addition/ring expansion cascade reactions.
• Authors of publication: Hughes, Owen R.; Tufail, Afzaal; Hutton, Esme; Nabarro, Joe; Howarth, Rachel; Yates, Nicholas D.; Whitwood, Adrian C.; Robson, Craig N.; Signoret, Nathalie; Fascione, Martin A.; Spicer, Christopher D.; Unsworth, William P.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3320 - 3328
• a: 9.14295 ± 0.0001 Å
• b: 10.25505 ± 0.00013 Å
• c: 20.8149 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1951.63 ± 0.04 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No