Crystallography Open Database

Information card for entry 4119937

4119936 << 4119937 >> 4119938

Preview

Coordinates	4119937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B Cl2 F10 N O P
Calculated formula	C38 H34 B Cl2 F10 N O P
Title of publication	Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions
Authors of publication	Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8882 - 8895
a	10.5699 ± 0.0003 Å
b	17.6128 ± 0.0006 Å
c	10.9505 ± 0.0005 Å
α	90°
β	113.061 ± 0.002°
γ	90°
Cell volume	1875.7 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178970 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99.	4119937.cif
104597	2014-03-11	cif/ Adding structures of 4119937 via cif-deposit CGI script.	4119937.cif