Information card for entry 4104895

Structure parameters

• Formula: C21.75 H20.5 Cl1.5 N3 O5 S2
• Calculated formula: C21.74 H20.48 Cl1.48 N3 O5 S2
• Title of publication: Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives
• Authors of publication: Le Li; Madhu Ganesh; Daniel Seidel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11648 - 11649
• a: 11.5766 ± 0.0005 Å
• b: 7.3289 ± 0.0003 Å
• c: 14.242 ± 0.0007 Å
• α: 90°
• β: 100.941 ± 0.001°
• γ: 90°
• Cell volume: 1186.38 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No