Information card for entry 7156161

Structure parameters

• Formula: C15 H23 I N2 O6
• Calculated formula: C15 H23 I N2 O6
• Title of publication: Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.
• Authors of publication: Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 2705 - 2710
• a: 8.5534 ± 0.0001 Å
• b: 13.2093 ± 0.0002 Å
• c: 16.1337 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.86 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0302
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No