Crystallography Open Database

Information card for entry 1513826

Preview

Coordinates	1513826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 Br F2 O3 Si Zn
Calculated formula	C10 H23 Br F2 O3 Si Zn
SMILES	Br[Zn]12([O](C)CC[O]1CC[O]2C)C([Si](C)(C)C)(F)F
Title of publication	Geminal Silicon/Zinc Reagent as an Equivalent of Difluoromethylene Bis-carbanion.
Authors of publication	Kosobokov, Mikhail D.; Levin, Vitalij V.; Zemtsov, Artem A.; Struchkova, Marina I.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Dilman, Alexander D.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	1438 - 1441
a	7.1144 ± 0.0005 Å
b	26.573 ± 0.002 Å
c	9.7522 ± 0.0007 Å
α	90°
β	101.267 ± 0.002°
γ	90°
Cell volume	1808.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.123
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	1513826.cif
106793	2014-03-16	cif/ Adding structures of 1513826 via cif-deposit CGI script.	1513826.cif