Crystallography Open Database

Information card for entry 1542736

Preview

Coordinates	1542736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 F6 N4 O8 Os S2
Calculated formula	C22 H17 F6 N4 O8 Os S2
SMILES	[Os]12(O)([OH2])([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Oxidative Cyclization of 1,5-Dienes with Hydrogen Peroxide Catalyzed by an Osmium(III) Complex: Synthesis of cis-Tetrahydrofurans.
Authors of publication	Sugimoto, Hideki; Kanetake, Takayuki; Maeda, Kazuki; Itoh, Shinobu
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1246 - 1249
a	14.8667 Å
b	23.2445 Å
c	16.5946 Å
α	90°
β	91.203°
γ	90°
Cell volume	5733.31 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1542736.cif
181455	2016-04-04	cif/ Updating files of 1542736 Original log message: Adding full bibliography for 1542736.cif.	1542736.cif
178003	2016-03-08	cif/ Adding structures of 1542736 via cif-deposit CGI script.	1542736.cif