Crystallography Open Database

Information card for entry 1501861

Preview

Coordinates	1501861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H6 B F15 O
Calculated formula	C24 H6 B F15 O
SMILES	[B]1(C(=CC[O]1CC#C)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.
Authors of publication	Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	62 - 65
a	10.2004 ± 0.0002 Å
b	10.4858 ± 0.0002 Å
c	10.936 ± 0.0001 Å
α	79.725 ± 0.001°
β	79.268 ± 0.001°
γ	81.578 ± 0.002°
Cell volume	1123.03 ± 0.03 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.04
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1501861.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501861.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501861.cif
35209	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501861 via cif-deposit CGI script.	1501861.cif