Information card for entry 7223601

Structure parameters

• Formula: C34 H53 O4 V
• Calculated formula: C34 H53 O4 V
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[V](O2)(=O)OC(C)(C)C
• Title of publication: Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide
• Authors of publication: Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.886 ± 0.008 Å
• b: 23.55 ± 0.014 Å
• c: 10.938 ± 0.007 Å
• α: 90°
• β: 110.492 ± 0.008°
• γ: 90°
• Cell volume: 3351 ± 4 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: 0.2607
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No