Crystallography Open Database

Information card for entry 7154167

Preview

Coordinates	7154167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H23 B Cl F10 P
Calculated formula	C37.5 H23 B Cl F10 P
Title of publication	1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.
Authors of publication	Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	3
Pages of publication	764 - 769
a	23.2576 ± 0.0005 Å
b	18.1844 ± 0.0005 Å
c	16.9234 ± 0.0005 Å
α	90°
β	111.378 ± 0.002°
γ	90°
Cell volume	6664.9 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0563
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7154167.cif
133516	2015-03-06	cif/ Updating files of 7154166, 7154167, 7154168, 7154169, 7154170, 7154171, 7154172, 7154173 Original log message: Adding full bibliography for 7154166--7154173.cif.	7154167.cif
125798	2014-10-24	cif/ Adding structures of 7154166, 7154167, 7154168, 7154169, 7154170, 7154171, 7154172, 7154173 via cif-deposit CGI script.	7154167.cif