Information card for entry 7109772

Structure parameters

• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: C1(=O)N(C(=O)N(C(=O)N1c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates
• Authors of publication: Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8659
• a: 12.6655 ± 0.0019 Å
• b: 12.6655 ± 0.0019 Å
• c: 26.761 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3717.7 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No