Crystallography Open Database

Information card for entry 1547164

Preview

Coordinates	1547164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 F3 N O9
Calculated formula	C21 H20 F3 N O9
SMILES	FC(F)(F)Oc1ccc2n(c(=O)c3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)c3c2c1)C
Title of publication	Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.
Authors of publication	Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	19
Pages of publication	5038 - 5041
a	65.689 ± 0.008 Å
b	4.6345 ± 0.0005 Å
c	21.077 ± 0.002 Å
α	90°
β	100.837 ± 0.008°
γ	90°
Cell volume	6302.2 ± 1.2 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2266
Residual factor for significantly intense reflections	0.1107
Weighted residual factors for significantly intense reflections	0.2366
Weighted residual factors for all reflections included in the refinement	0.2972
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
202790 (current)	2017-11-07	cif/ Updating files of 1547164 Original log message: Adding full bibliography for 1547164.cif.	1547164.cif
200857	2017-09-14	cif/ Adding structures of 1547164 via cif-deposit CGI script.	1547164.cif