Information card for entry 7059497

Structure parameters

• Formula: C20 H26 N2 O
• Calculated formula: C20 H26 N2 O
• SMILES: N(C(=N\c1c(cccc1C)C)\C(C)(C)C)c1ccccc1OC
• Title of publication: Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone
• Authors of publication: Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 7811 - 7822
• a: 13.0115 ± 0.0008 Å
• b: 17.0106 ± 0.0011 Å
• c: 7.8719 ± 0.0005 Å
• α: 90°
• β: 93.093 ± 0.002°
• γ: 90°
• Cell volume: 1739.78 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1366
• 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