Information card for entry 4311581

Structure parameters

• Formula: C40 H64 N2 O2
• Calculated formula: C40 H64 N2 O2
• SMILES: Oc1c(C(C)(C)C)cc(cc1/C=N/[C@H]([C@@H](/N=C/c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C)C(C)(C)C)C(C)(C)C.Oc1c(C(C)(C)C)cc(cc1/C=N/[C@@H]([C@H](/N=C/c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading
• Authors of publication: Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6024 - 6034
• a: 11.052 ± 0.009 Å
• b: 30.56 ± 0.03 Å
• c: 11.25 ± 0.01 Å
• α: 90°
• β: 93.309 ± 0.014°
• γ: 90°
• Cell volume: 3793 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.3639
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.3277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No