Crystallography Open Database

Information card for entry 7247137

Preview

Coordinates	7247137.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
285432 (current)	2023-08-03	cif/ Adding structures of 7247130, 7247131, 7247132, 7247133, 7247134, 7247135, 7247136, 7247137, 7247138, 7247139, 7247140, 7247141, 7247142 via cif-deposit CGI script.	7247137.cif