Crystallography Open Database

Information card for entry 7250444

Preview

Coordinates	7250444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 N O5 P
Calculated formula	C9 H10 N O5 P
Title of publication	Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX
Authors of publication	Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles
Journal of publication	RSC Medicinal Chemistry
Year of publication	2025
a	8.3552 ± 0.0002 Å
b	6.4722 ± 0.0002 Å
c	18.7224 ± 0.0005 Å
α	90°
β	90.8761 ± 0.0009°
γ	90°
Cell volume	1012.32 ± 0.05 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
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	0.0592
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299803 (current)	2025-05-24	cif/ Adding structures of 7250443, 7250444 via cif-deposit CGI script.	7250444.cif