Crystallography Open Database

Information card for entry 7156077

Preview

Coordinates	7156077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 N2 O8 S
Calculated formula	C12 H16 N2 O8 S
SMILES	S(=O)(=O)(OC[C@@]12O[C@@H](N3C=CC(=O)NC3=O)[C@](OC2)([C@@H]1O)C)C
Title of publication	Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.
Authors of publication	Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	8
Pages of publication	1312 - 1321
a	8.791 ± 0.0001 Å
b	8.791 ± 0.0001 Å
c	38.3254 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2961.85 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.14 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
230648 (current)	2019-11-17	cif/ Updating files of 7156077, 7156078 Original log message: Adding full bibliography for 7156077--7156078.cif.	7156077.cif
205626	2018-01-25	cif/ Adding structures of 7156077, 7156078 via cif-deposit CGI script.	7156077.cif