Information card for entry 1547362

Structure parameters

• Formula: C24 H21 I3 N2 O5
• Calculated formula: C24 H21 I3 N2 O5
• SMILES: I[C@H]1[C@H](NC(=O)OCC2c3cc(I)ccc3c3ccc(I)cc23)C(=O)N2[C@@H](CC[C@@H]12)C(=O)OC
• 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: 5.272 ± 0.0005 Å
• b: 14.4113 ± 0.0014 Å
• c: 33.766 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No