Information card for entry 7060319

Structure parameters

• Formula: C23 H35 Al N2 O
• Calculated formula: C23 H35 Al N2 O
• SMILES: [Al]1(N(C(c2[n]1c(OC)ccc2)(C)C)c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone
• Authors of publication: Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3800 - 3808
• a: 8.804 ± 0.0004 Å
• b: 15.768 ± 0.001 Å
• c: 16.052 ± 0.0011 Å
• α: 90°
• β: 93.774 ± 0.006°
• γ: 90°
• Cell volume: 2223.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No