Information card for entry 4109469

Structure parameters

• Formula: C31 H31 Cl2 N3 O3
• Calculated formula: C31 H31 Cl2 N3 O3
• Title of publication: Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates
• Authors of publication: William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7077 - 7088
• a: 8.9769 ± 0.001 Å
• b: 12.873 ± 0.0014 Å
• c: 12.972 ± 0.0015 Å
• α: 87.302 ± 0.004°
• β: 79.571 ± 0.003°
• γ: 76.007 ± 0.003°
• Cell volume: 1430.5 ± 0.3 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No