Information card for entry 7714510

Structure parameters

• Formula: C35 H47 N3 O Zn
• Calculated formula: C35 H47 N3 O Zn
• SMILES: C1(=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Zn]2(N1c1c(cccc1C(C)C)C(C)C)[n]1c(cccc1C)O2)C
• Title of publication: NacNac-zinc-pyridonate mediated ε-caprolactone ROP.
• Authors of publication: Hughes, Jack W. J.; Babula, Dawid J.; Stowers-Veitch, Findlay; Yuan, Kang; Uzelac, Marina; Nichol, Gary S.; Ingleson, Michael J.; Garden, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 12.3962 ± 0.0003 Å
• b: 16.5432 ± 0.0004 Å
• c: 17.1649 ± 0.0004 Å
• α: 78.352 ± 0.002°
• β: 83.508 ± 0.002°
• γ: 70.096 ± 0.002°
• Cell volume: 3237.86 ± 0.14 ų
• Cell temperature: 120 ± 0.5 K
• Ambient diffraction temperature: 120 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No