Crystallography Open Database

Information card for entry 7043531

Preview

Coordinates	7043531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H61 Au Cl O4 P
Calculated formula	C58 H61 Au Cl O4 P
SMILES	c12cccc(c1OCCC)Cc1cccc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)c1ccccc1[P](c1ccccc1)(c1ccccc1)[Au]Cl
Title of publication	Calix[4]arene-fused phospholes
Authors of publication	Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.288 ± 0.005 Å
b	11.576 ± 0.005 Å
c	20.999 ± 0.005 Å
α	87.574 ± 0.005°
β	86.443 ± 0.005°
γ	64.98 ± 0.005°
Cell volume	2481.3 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198571 (current)	2017-07-08	cif/ Adding structures of 7043530, 7043531, 7043532, 7043533 via cif-deposit CGI script.	7043531.cif