Information card for entry 1547364

Structure parameters

• Formula: C25 H26 N2 O5
• Calculated formula: C25 H26 N2 O5
• SMILES: O=C1N[C@@H](CCCC=C[C@@H]1NC(=O)OCC1c2ccccc2c2ccccc12)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: 8.9667 ± 0.0002 Å
• b: 7.6705 ± 0.0002 Å
• c: 16.1715 ± 0.0004 Å
• α: 90°
• β: 92.338 ± 0.001°
• γ: 90°
• Cell volume: 1111.33 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No