Information card for entry 7715601

Structure parameters

• Formula: C18 H28 N Nb O5
• Calculated formula: C18 H28 N Nb O5
• SMILES: [Nb]12(Oc3ccc(cc3[N]2=C(C=C(O1)C)C)C)(OCC)(OCC)OCC
• Title of publication: Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.
• Authors of publication: Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7073 - 7080
• a: 30.4282 ± 0.0003 Å
• b: 8.114 ± 0.0001 Å
• c: 15.997 ± 0.0001 Å
• α: 90°
• β: 98.458 ± 0.001°
• γ: 90°
• Cell volume: 3906.61 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No