Information card for entry 4125892

Structure parameters

• Formula: C28 H47 I N2 O9
• Calculated formula: C28 H47 I N2 O9
• Title of publication: Catalytic Asymmetric Diamination of Styrenes.
• Authors of publication: Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 12
• Pages of publication: 4354 - 4357
• a: 11.4085 ± 0.0005 Å
• b: 12.0467 ± 0.0004 Å
• c: 12.3818 ± 0.0005 Å
• α: 90°
• β: 103.436 ± 0.0016°
• γ: 90°
• Cell volume: 1655.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No