Information card for entry 7247130

Structure parameters

• Formula: C21 H36 N3 O6 P S2
• Calculated formula: C21 H36 N3 O6 P S2
• 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: 11.8864 ± 0.0006 Å
• b: 17.0353 ± 0.0006 Å
• c: 13.0083 ± 0.0005 Å
• α: 90°
• β: 93.201 ± 0.004°
• γ: 90°
• Cell volume: 2629.92 ± 0.19 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: 0.0989
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No