Information card for entry 7247137

Structure parameters

• Formula: C51 H76 N4 O12 P2 S2
• Calculated formula: C51 H76 N4 O12 P2 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: 48.4808 ± 0.0011 Å
• b: 12.1659 ± 0.0006 Å
• c: 18.9571 ± 0.0005 Å
• α: 90°
• β: 96.648 ± 0.002°
• γ: 90°
• Cell volume: 11106 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No