Information card for entry 1529295

Structure parameters

• Formula: C39 H58 Cl Cr N2 O5
• Calculated formula: C32 H50 Cl Cr N2 O5
• SMILES: [Cr]123(Cl)(Oc4c(C(C)(C)C)cc(OC)cc4C[N]3(Cc3cc(OC)cc(c3O1)C(C)(C)C)CC[N]2(C)C)[O]1CCCC1
• Title of publication: Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates
• Authors of publication: Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 35
• Pages of publication: 6305
• a: 14.615 ± 0.01 Å
• b: 16.834 ± 0.012 Å
• c: 16.342 ± 0.013 Å
• α: 90°
• β: 112.456 ± 0.008°
• γ: 90°
• Cell volume: 3716 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1168
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No