Crystallography Open Database

Information card for entry 4329473

Preview

Coordinates	4329473.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,6-bis(diphenylphosphinoylmethyl)-dibenzofuran
Formula	C39 H34 O4 P2
Calculated formula	C39 H34 O4 P2
Title of publication	Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms
Authors of publication	Daniel Rosario-Amorin; Eileen N. Duesler; Robert T. Paine; Benjamin P. Hay; Laetitia H. Delmau; Sean D. Reilly; Andrew J. Gaunt; Brian L. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6667 - 6681
a	11.1295 ± 0.0003 Å
b	12.1172 ± 0.0003 Å
c	13.6427 ± 0.0003 Å
α	88.335 ± 0.001°
β	69.154 ± 0.001°
γ	76.794 ± 0.001°
Cell volume	1671.17 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329473.cif
78530	2013-04-02	cif/ Adding structures of 4329473 via cif-deposit CGI script.	4329473.cif