Crystallography Open Database

Information card for entry 7155968

Preview

Coordinates	7155968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 N2 O7
Calculated formula	C25 H32 N2 O7
SMILES	O=C1N([C@H]2[C@H]3[C@H](ON=C3[C@H](OCc3ccccc3)[C@@H]3OC(OC3)(C)C)[C@@H]1C2)C(=O)OC(C)(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	6.0765 ± 0.0002 Å
b	9.6451 ± 0.0004 Å
c	11.0698 ± 0.0004 Å
α	89.902 ± 0.003°
β	75.421 ± 0.003°
γ	76.398 ± 0.004°
Cell volume	609.14 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7155968.cif