Crystallography Open Database

Information card for entry 7033909

Preview

Coordinates	7033909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H4 B F10 N O2 S
Calculated formula	C13 H4 B F10 N O2 S
SMILES	S(=O)(=O)(NB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C
Title of publication	Reactions of iodine-nitrene reagents with boranes.
Authors of publication	Postle, Shawn; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	10
Pages of publication	4436 - 4439
a	6.0068 ± 0.0007 Å
b	9.6962 ± 0.0012 Å
c	13.5918 ± 0.0015 Å
α	74.33 ± 0.007°
β	81.758 ± 0.007°
γ	85.914 ± 0.007°
Cell volume	753.89 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.0313
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
180045 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/39.	7033909.cif
133320	2015-03-06	cif/ Updating files of 7033906, 7033907, 7033908, 7033909 Original log message: Adding full bibliography for 7033906--7033909.cif.	7033909.cif
131175	2015-02-05	cif/ Adding structures of 7033906, 7033907, 7033908, 7033909 via cif-deposit CGI script.	7033909.cif