Crystallography Open Database

Information card for entry 7126458

Preview

Coordinates	7126458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 F O4
Calculated formula	C6 H11 F O4
Title of publication	Chemoenzymatic synthesis of 3-deoxy-3-fluoro-l-fucose and its enzymatic incorporation into glycoconjugates.
Authors of publication	Valverde, Pablo; Vendeville, Jean-Baptiste; Hollingsworth, Kristian; Mattey, Ashley P.; Keenan, Tessa; Chidwick, Harriet; Ledru, Helene; Huonnic, Kler; Huang, Kun; Light, Mark E.; Turner, Nicholas; Jiménez-Barbero, Jesús; Galan, M. Carmen; Fascione, Martin A.; Flitsch, Sabine; Turnbull, W. Bruce; Linclau, Bruno
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	47
Pages of publication	6408 - 6411
a	8.1522 ± 0.0003 Å
b	4.739 ± 0.0002 Å
c	9.7711 ± 0.0004 Å
α	90°
β	99.908 ± 0.004°
γ	90°
Cell volume	371.86 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253810 (current)	2020-07-06	cif/ Updating files of 7126458 Original log message: Adding full bibliography for 7126458.cif.	7126458.cif
251294	2020-04-30	cif/ Adding structures of 7126458 via cif-deposit CGI script.	7126458.cif