Crystallography Open Database

Information card for entry 1552561

Preview

Coordinates	1552561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 F2 N5 O4.5
Calculated formula	C11 H16 F2 N5 O4.5
Title of publication	Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.
Authors of publication	Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin
Journal of publication	Journal of medicinal chemistry
Year of publication	2019
Journal volume	62
Journal issue	13
Pages of publication	6346 - 6362
a	10.20373 ± 0.00008 Å
b	6.97368 ± 0.00006 Å
c	18.69692 ± 0.00015 Å
α	90°
β	96.8278 ± 0.0007°
γ	90°
Cell volume	1320.99 ± 0.019 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222071 (current)	2019-11-04	cif/ Adding structures of 1552561 via cif-deposit CGI script.	1552561.cif