Crystallography Open Database

Information card for entry 7223943

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Structure parameters

Formula	C10 H11 N5 O5
Calculated formula	C10 H11 N5 O5
SMILES	O=C1NC(=O)N([C@H]2O[C@@]3(CO[C@H]2[C@@H]3N=N#N)CO)C=C1
Title of publication	Synthesis of 3′-azido/-amino-xylobicyclonucleosides
Authors of publication	Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.
Journal of publication	RSC Adv.
Year of publication	2016
a	6.5121 ± 0.0016 Å
b	6.8206 ± 0.0014 Å
c	13.045 ± 0.004 Å
α	90°
β	93.72 ± 0.03°
γ	90°
Cell volume	578.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2016
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7223943.cif
174611	2016-01-20	cif/ Adding structures of 7223942, 7223943 via cif-deposit CGI script.	7223943.cif