Information card for entry 4035403

Structure parameters

• Formula: C4 H16 Cl4 N2 Zn
• Calculated formula: C4 H16 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH2+](C)C.[NH2+](C)C
• Title of publication: Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.
• Authors of publication: Kinens, Artis; Balkaitis, Simonas; Suna, Edgars
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 20
• Pages of publication: 12449 - 12459
• a: 8.5348 ± 0.0005 Å
• b: 11.445 ± 0.0006 Å
• c: 13.2997 ± 0.0008 Å
• α: 90 ± 0.003°
• β: 89.932 ± 0.003°
• γ: 90 ± 0.002°
• Cell volume: 1299.12 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No