Crystallography Open Database

Information card for entry 7157367

Preview

Coordinates	7157367.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol
Formula	C19 H26 O5
Calculated formula	C19 H26 O5
SMILES	O1C[C@H]2OCc3ccccc3CO[C@@H]2[C@@]1(OC1CCCCC1)CO
Title of publication	β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.
Authors of publication	Huang, Bo-Shun; Lowary, Todd L.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	12
Pages of publication	2264 - 2273
a	5.3125 ± 0.0002 Å
b	12.3867 ± 0.0005 Å
c	13.7161 ± 0.0006 Å
α	90°
β	90.529 ± 0.003°
γ	90°
Cell volume	902.54 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2137
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
250374 (current)	2020-04-05	cif/ Updating files of 7157367 Original log message: Adding full bibliography for 7157367.cif.	7157367.cif
248561	2020-02-29	cif/ Adding structures of 7157367 via cif-deposit CGI script.	7157367.cif