Crystallography Open Database

Information card for entry 4131305

Preview

Coordinates	4131305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 F O7
Calculated formula	C17 H19 F O7
SMILES	Fc1ccc(cc1)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C
Title of publication	Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.
Authors of publication	Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	31
Pages of publication	10693 - 10701
a	7.8203 ± 0.0017 Å
b	11.336 ± 0.003 Å
c	19.356 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1715.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0334
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241538 (current)	2019-11-25	cif/ Adding structures of 4131305 via cif-deposit CGI script.	4131305.cif