Crystallography Open Database

Information card for entry 2019929

2019928 << 2019929 >> 2019930

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Structure parameters

Chemical name	2'-<i>O</i>-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-<i>D</i>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine
Formula	C21 H26 F N3 O7
Calculated formula	C21 H26 F N3 O7
SMILES	O1[C@H]([C@@H]([C@@H]([C@H]1CO)O)OC1(CCN(CC1)c1c(cccc1)F)OC)N1C(=O)NC(=O)C=C1
Title of publication	The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-<i>O</i>-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-<small>D</small>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine
Authors of publication	Kruszynski, Rafal; Czestkowski, Wojciech
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	5
Pages of publication	402 - 406
a	10.5197 ± 0.0005 Å
b	6.7783 ± 0.0004 Å
c	15.039 ± 0.0007 Å
α	90°
β	103.807 ± 0.004°
γ	90°
Cell volume	1041.38 ± 0.09 Å³
Cell temperature	290 ± 1 K
Ambient diffraction temperature	290 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019929.cif 2019929.hkl
136355	2015-05-13	cif/ hkl/ Adding structures of 2019929 via cif-deposit CGI script.	2019929.cif 2019929.hkl