Information card for entry 4082599

Structure parameters

• Formula: C31 H40 N4
• Calculated formula: C31 H40 N4
• SMILES: N(=C(\CC(=N\c1c(cc(C#N)cc1C(C)C)C(C)C)\C)C)/c1c(cc(cc1C(C)C)C#N)C(C)C
• Title of publication: Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators
• Authors of publication: Rajendran, N. M.; Haleel, A.; Reddy, N. Dastagiri
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 217
• a: 14.4025 ± 0.0003 Å
• b: 12.5471 ± 0.0002 Å
• c: 16.5371 ± 0.0003 Å
• α: 90°
• β: 103.7 ± 0.002°
• γ: 90°
• Cell volume: 2903.39 ± 0.1 ų
• Cell temperature: 149.7 K
• Ambient diffraction temperature: 149.7 K
• Number of distinct elements: 3
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No