Information card for entry 7247100

Structure parameters

• Formula: C14 H11 N O5 S
• Calculated formula: C14 H11 N O5 S
• Title of publication: Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds
• Authors of publication: Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 23.24 ± 0.004 Å
• b: 13.0799 ± 0.0009 Å
• c: 13.2996 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4042.8 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.3094
• Weighted residual factors for all reflections included in the refinement: 0.3585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No