Crystallography Open Database

Information card for entry 4119936

4119935 << 4119936 >> 4119937

Preview

Coordinates	4119936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 B F10 O2 P S
Calculated formula	C37 H32 B F10 O2 P S
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	16.4556 ± 0.0007 Å
b	16.7148 ± 0.0006 Å
c	24.6103 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6769.1 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4119936.cif
104595	2014-03-11	cif/ Adding structures of 4119936 via cif-deposit CGI script.	4119936.cif