Crystallography Open Database

Information card for entry 7155967

Preview

Coordinates	7155967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 N2 O7
Calculated formula	C19 H28 N2 O7
SMILES	O1N=C([C@H]2[C@@H]3N(C(=O)[C@H]([C@@H]12)C3)C(=O)OC(C)(C)C)[C@H](OC)[C@@H]1OC(OC1)(C)C
Title of publication	Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus
Authors of publication	Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2017
a	8.2526 ± 0.0002 Å
b	8.2526 ± 0.0002 Å
c	60.866 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4145.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203035 (current)	2017-11-10	cif/ Adding structures of 7155967, 7155968, 7155969 via cif-deposit CGI script.	7155967.cif