Crystallography Open Database

Information card for entry 1506562

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Structure parameters

Formula	C17 H18 N2 O5
Calculated formula	C17 H18 N2 O5
SMILES	O[C@H]1O[C@H](COCc2ccccc2)[C@@H]2n3c(nc(=O)c(c3)C)O[C@H]12
Title of publication	Convenient synthesis of nucleoside and isonucleoside analogues.
Authors of publication	Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Robles, Rafael
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	11
Pages of publication	2161 - 2164
a	10.059 ± 0.0011 Å
b	5.9759 ± 0.0007 Å
c	13.3917 ± 0.0015 Å
α	90°
β	108.39 ± 0.002°
γ	90°
Cell volume	763.89 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0523
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506562.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506562.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506562.cif
50405	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506562 via cif-deposit CGI script.	1506562.cif