Information card for entry 7247132

Structure parameters

• Formula: C20 H33 N2 O6 P S
• Calculated formula: C20 H33 N2 O6 P S
• Title of publication: α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2
• Authors of publication: Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo-Meztler, Paula; Thoma, Johannes; Andersson Rasmussen, Anna; Valkonen, Arto; Sunnerhagen, Per; Leiros, Hanna-Kirsti S.; Andersson, Hanna; Erdelyi, Mate
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 12.7772 ± 0.0002 Å
• b: 13.5168 ± 0.0002 Å
• c: 13.6871 ± 0.0002 Å
• α: 90°
• β: 94.199 ± 0.001°
• γ: 90°
• Cell volume: 2357.51 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No