Information card for entry 7153294

Structure parameters

• Formula: C48 H68 F12 N4 O14 S4 Zn2
• Calculated formula: C48 H68 F12 N4 O14 S4 Zn2
• Title of publication: Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.
• Authors of publication: Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1816 - 1820
• a: 35.199 ± 0.005 Å
• b: 35.199 ± 0.005 Å
• c: 11.268 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13961 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No