Information card for entry 7123660

Structure parameters

• Formula: C23 H23 N3 O2
• Calculated formula: C23 H23 N3 O2
• Title of publication: Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere
• Authors of publication: Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.1233 ± 0.0013 Å
• b: 11.8499 ± 0.0008 Å
• c: 8.8509 ± 0.0006 Å
• α: 90°
• β: 108.543 ± 0.001°
• γ: 90°
• Cell volume: 1901.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No