Information card for entry 4114829

Structure parameters

• Formula: C36 H54 N2 O2
• Calculated formula: C36 H54 N2 O2
• SMILES: N(=C\c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)/[C@H]1CCCC[C@@H]1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst
• Authors of publication: Donald J. Darensbourg; Jason C. Yarbrough
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6335 - 6342
• a: 6.6894 ± 0.0007 Å
• b: 18.0963 ± 0.0018 Å
• c: 27.195 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No