Information card for entry 4036066

Structure parameters

• Formula: C18 H17 I N2 O5
• Calculated formula: C18 H17 I N2 O5
• SMILES: I[C@H]1C[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N2[C@H]1CC[C@H]2C(=O)OC
• Title of publication: Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.
• Authors of publication: Atmuri, N. D. Prasad; Lubell, William D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 8.4719 ± 0.0002 Å
• b: 11.2069 ± 0.0003 Å
• c: 9.3465 ± 0.0003 Å
• α: 90°
• β: 92.107 ± 0.001°
• γ: 90°
• Cell volume: 886.79 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No