Information card for entry 1518902

Structure parameters

• Formula: C23 H25 O P
• Calculated formula: C23 H25 O P
• SMILES: c1(c(c(cc(c1)C)C(C)(C)C)O)P(c1ccccc1)c1ccccc1
• Title of publication: P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.
• Authors of publication: Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12376 - 12387
• a: 13.3231 ± 0.0008 Å
• b: 13.0236 ± 0.0008 Å
• c: 11.3086 ± 0.0007 Å
• α: 90°
• β: 95.911 ± 0.002°
• γ: 90°
• Cell volume: 1951.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No