Crystallography Open Database

Information card for entry 1501863

Preview

Coordinates	1501863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H10 B F15
Calculated formula	C24 H10 B F15
SMILES	B(C(=CC(C)(C)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	12.6904 ± 0.0003 Å
b	10.1992 ± 0.0004 Å
c	18.6406 ± 0.0009 Å
α	90°
β	106.434 ± 0.002°
γ	90°
Cell volume	2314.12 ± 0.16 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.047
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	1501863.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501863.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501863.cif
35211	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501863 via cif-deposit CGI script.	1501863.cif