Information card for entry 1547361

Structure parameters

• Formula: C27 H29 Cl2 I N2 O7
• Calculated formula: C27 H29 Cl2 I N2 O7
• SMILES: I[C@@H]1[C@H](NC(=O)OCC2c3ccccc3c3ccccc23)C(=O)N[C@@H](CC[C@H]1OC(=O)C)C(=O)OC.ClCCl
• Title of publication: Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.
• Authors of publication: Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5066 - 5069
• a: 22.1529 ± 0.0011 Å
• b: 9.8472 ± 0.0005 Å
• c: 15.6753 ± 0.0008 Å
• α: 90°
• β: 121.483 ± 0.002°
• γ: 90°
• Cell volume: 2916.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No