Information card for entry 4114966

Structure parameters

• Formula: C15 H24 N2 O8 S
• Calculated formula: C15 H24 N2 O8 S
• SMILES: S1C[C@H](N2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]12)C(=O)OC
• Title of publication: An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation
• Authors of publication: Peter Tremmel; Armin Geyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8548 - 8549
• a: 15.794 ± 0.0008 Å
• b: 15.794 ± 0.0008 Å
• c: 15.1279 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3773.7 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1267
• 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: No
• Has Fobs: No