Crystallography Open Database

Information card for entry 1545254

Preview

Coordinates	1545254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N O9 S
Calculated formula	C26 H29 N O9 S
SMILES	S(=O)(=O)(N1[C@@H]2[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H]2c2ccccc2C1)COC(=O)C)c1ccc(cc1)C
Title of publication	HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.
Authors of publication	Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1040 - 1043
a	10.8723 ± 0.0002 Å
b	8.4197 ± 0.0002 Å
c	14.4418 ± 0.0003 Å
α	90°
β	93.434 ± 0.001°
γ	90°
Cell volume	1319.65 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
193636 (current)	2017-03-04	cif/ Updating files of 1545254 Original log message: Adding full bibliography for 1545254.cif.	1545254.cif
192040	2017-02-14	cif/ Adding structures of 1545254 via cif-deposit CGI script.	1545254.cif