Crystallography Open Database

Information card for entry 2022851

2022850 << 2022851 >> 2022852

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Structure parameters

Chemical name	2'-Deoxyguanosine dimethyl sulfoxide disolvate
Formula	C14 H25 N5 O6 S2
Calculated formula	C14 H25 N5 O6 S2
SMILES	c1([nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@@H](CO)O1)O)N.CS(C)=O.O=S(C)C
Title of publication	Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate
Authors of publication	Spingler, Bernhard
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	9
Pages of publication	852 - 855
a	9.759 ± 0.0001 Å
b	11.7951 ± 0.0002 Å
c	16.7553 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1928.68 ± 0.04 Å³
Cell temperature	183.15 K
Ambient diffraction temperature	183.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
285926 (current)	2023-08-31	cif/ hkl/ Adding structures of 2022851 via cif-deposit CGI script.	2022851.cif 2022851.hkl