Information card for entry 7715605

Structure parameters

• Formula: C24 H30 N Nb O5
• Calculated formula: C24 H30 N Nb O5
• SMILES: [Nb]123(Oc4ccc(cc4[N]3=C(C=C(O1)C)C)C)(Oc1cc(ccc1O2)C(C)(C)C)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: 20.5797 ± 0.0004 Å
• b: 7.4688 ± 0.0002 Å
• c: 31.9583 ± 0.0009 Å
• α: 90°
• β: 108.275 ± 0.003°
• γ: 90°
• Cell volume: 4664.4 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No