Crystallography Open Database

Information card for entry 1506318

Preview

Coordinates	1506318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 F2 N2 O4 S
Calculated formula	C9 H9.5 F2.2 N2 O4 S
Title of publication	Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.
Authors of publication	Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	6083 - 6086
a	6.4138 ± 0.0005 Å
b	10.5196 ± 0.0009 Å
c	17.152 ± 0.0014 Å
α	90°
β	99.808 ± 0.001°
γ	90°
Cell volume	1140.34 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	1506318.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506318.cif
48186	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506318 via cif-deposit CGI script.	1506318.cif