Crystallography Open Database

Information card for entry 7160179

Preview

Coordinates	7160179.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R)-2-(uracil-1-yl)-(SP)-N-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane-2-yl)-(S)-6-hydroxymethyl-morpholine
Formula	C16 H24 N3 O5 P S2
Calculated formula	C16 H24 N3 O5 P S2
Title of publication	P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.
Authors of publication	Jastrzębska, Katarzyna; Antończyk, Patrycja; Dolot, Rafał
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	44
Pages of publication	8737 - 8742
a	6.8003 ± 0.0001 Å
b	28.655 ± 0.0003 Å
c	10.6061 ± 0.0001 Å
α	90°
β	93.452 ± 0.001°
γ	90°
Cell volume	2062.98 ± 0.04 Å³
Cell temperature	293.88 ± 0.1 K
Ambient diffraction temperature	293.88 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296659 (current)	2024-12-06	cif/ Updating files of 7160179, 7160180 Original log message: Adding full bibliography for 7160179--7160180.cif.	7160179.cif
295470	2024-10-13	cif/ Adding structures of 7160179, 7160180 via cif-deposit CGI script.	7160179.cif