Crystallography Open Database

Information card for entry 4121711

Preview

Coordinates	4121711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 As P
Calculated formula	C18 H22 As P
SMILES	[As]1=P(c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C
Title of publication	Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.
Authors of publication	Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	17
Pages of publication	6247 - 6250
a	16.5 ± 0.004 Å
b	11.912 ± 0.003 Å
c	18.07 ± 0.005 Å
α	90°
β	113.803 ± 0.005°
γ	90°
Cell volume	3249.5 ± 1.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179019 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/17.	4121711.cif
112752	2014-05-04	cif/ Updating files of 4121710, 4121711, 4121712, 4121713, 4121714 Original log message: Adding full bibliography for 4121710--4121714.cif.	4121711.cif
110799	2014-04-20	cif/ Adding structures of 4121711 via cif-deposit CGI script.	4121711.cif