Crystallography Open Database

Information card for entry 1506591

Preview

Structure parameters

Formula	C19 H3 F15 O Si
Calculated formula	C19 H3 F15 O Si
SMILES	[Si](OC)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.
Authors of publication	Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	14
Pages of publication	2913 - 2915
a	10.692 ± 0.004 Å
b	11.712 ± 0.005 Å
c	16.162 ± 0.006 Å
α	91.492 ± 0.008°
β	99.888 ± 0.008°
γ	99.806 ± 0.008°
Cell volume	1961.5 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0666
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1506591.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.	1506591.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506591.cif
50429	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506591, 1506592 via cif-deposit CGI script.	1506591.cif