Information card for entry 7112167

Structure parameters

• Formula: C38 H44 N4 O3 S Zn
• Calculated formula: C38 H44 N4 O3 S Zn
• Title of publication: Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts
• Authors of publication: Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3862
• a: 8.1989 ± 0.0006 Å
• b: 11.609 ± 0.0007 Å
• c: 36.4888 ± 0.0022 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3473 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No