Crystallography Open Database

Information card for entry 1552560

Preview

Coordinates	1552560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 F N2 O5
Calculated formula	C10 H13 F N2 O5
SMILES	F[C@@H]1[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1CO
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	6.6465 ± 0.0002 Å
b	6.6465 ± 0.0002 Å
c	43.3632 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1658.97 ± 0.09 Å³
Cell temperature	295.71 ± 0.13 K
Ambient diffraction temperature	295.71 ± 0.13 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
222070 (current)	2019-11-04	cif/ Adding structures of 1552560 via cif-deposit CGI script.	1552560.cif