Information card for entry 4021475

Structure parameters

• Formula: C27 H37 N7 O2 S2
• Calculated formula: C27 H37 N7 O2 S2
• SMILES: S1C(=NN(/C(=N/c2sc(nn2)C(C)(C)C)N[C@H](c2ncccc2)C)[C@H]1c1ccccc1O)C(C)(C)C.OC.S1C(=NN(/C(=N/c2sc(nn2)C(C)(C)C)N[C@@H](c2ncccc2)C)[C@@H]1c1ccccc1O)C(C)(C)C.OC
• Title of publication: Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides
• Authors of publication: Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 1399 - 1406
• a: 9.6218 ± 0.0002 Å
• b: 28.36 ± 0.001 Å
• c: 11.5099 ± 0.0004 Å
• α: 90°
• β: 107.566 ± 0.002°
• γ: 90°
• Cell volume: 2994.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.1551
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No