Information card for entry 1569425

Structure parameters

• Formula: C24 H30 N4 O3
• Calculated formula: C24 H30 N4 O3
• SMILES: c12ccc(cc1)/C=N/CCOCC/N=C/c1ccc(cc1)/C=N/CCOCC/N=C/2.O
• Title of publication: Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.
• Authors of publication: Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6631 - 6642
• a: 16.0157 ± 0.0005 Å
• b: 16.9055 ± 0.0006 Å
• c: 8.2684 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2238.7 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No