Crystallography Open Database

Information card for entry 4103177

Preview

Structure parameters

Formula	C34.5 H16 B F15
Calculated formula	C34.5 H16 B F15
Title of publication	Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes
Authors of publication	Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13594 - 13595
a	23.7702 ± 0.0005 Å
b	12.1352 ± 0.0006 Å
c	23.323 ± 0.0011 Å
α	90°
β	116.306 ± 0.002°
γ	90°
Cell volume	6030.9 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4103177.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103177.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103177.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103177.cif
26132	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103177 via cif-deposit CGI script.	4103177.cif