Information card for entry 7235593

Structure parameters

• Formula: C23 H33 N O6
• Calculated formula: C23 H33 N O6
• Title of publication: Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin
• Authors of publication: Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 31
• Pages of publication: 16233
• a: 10.9217 ± 0.0001 Å
• b: 13.2521 ± 0.0001 Å
• c: 15.2021 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2200.28 ± 0.03 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: 0.0276
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0118
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No