Crystallography Open Database

Information card for entry 7155969

Preview

Coordinates	7155969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 N2 O10
Calculated formula	C30 H44 N2 O10
SMILES	O=C(OC)[C@@H]1[C@@H](OC(=O)C)[C@H]([C@H](NC(=O)OC(C)(C)C)C1)[C@@H](NC(=O)C)[C@H](OCc1ccccc1)[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	10.3732 ± 0.0004 Å
b	16.8818 ± 0.0004 Å
c	35.8766 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6282.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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.	7155969.cif