Information card for entry 7247099

Structure parameters

• Formula: C35 H42 N2 O12 S2
• Calculated formula: C35 H42 N2 O12 S2
• 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: 13.1496 ± 0.0005 Å
• b: 21.1566 ± 0.0008 Å
• c: 13.3584 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3716.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No