Crystallography Open Database

Information card for entry 1507113

Preview

Coordinates	1507113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 F2 N2 O2
Calculated formula	C15 H16 F2 N2 O2
Title of publication	A versatile synthesis of fluorinated uracils in solution and on solid-phase.
Authors of publication	Fustero, Santos; Piera, Julio; Sanz-Cervera, Juan F; Catalán, Silvia; Ramírez de Arellano, Carmen
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	9
Pages of publication	1417 - 1420
a	11.2061 ± 0.0002 Å
b	11.3867 ± 0.0002 Å
c	18.0052 ± 0.0003 Å
α	72.655 ± 0.001°
β	79.218 ± 0.001°
γ	84.164 ± 0.001°
Cell volume	2151.7 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1507113.cif
131991	2015-02-18	cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '&#x0000%' repetitions from 38 CIFs in 1/50/.	1507113.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507113.cif
51685	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507113 via cif-deposit CGI script.	1507113.cif