Information card for entry 7103342

Structure parameters

• Formula: C63 H104 N4 O14 P2 S2
• Calculated formula: C63 H104 N4 O14 P2 S2
• Title of publication: A diastereo- and enantioselective synthesis of alpha-substituted anti-alpha,beta-diaminophosphonic acid derivatives.
• Authors of publication: Wilt, Jeremy C; Pink, Maren; Johnston, Jeffrey N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4177 - 4179
• a: 14.1975 ± 0.0007 Å
• b: 13.6185 ± 0.0007 Å
• c: 18.9091 ± 0.001 Å
• α: 90°
• β: 96.379 ± 0.001°
• γ: 90°
• Cell volume: 3633.4 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No