Information card for entry 7156160

Structure parameters

• Formula: C16 H26 N2 O7
• Calculated formula: C16 H26 N2 O7
• 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: 8.5004 ± 0.0002 Å
• b: 12.8701 ± 0.0002 Å
• c: 16.4218 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.56 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No