Crystallography Open Database

Information card for entry 7216887

Preview

Coordinates	7216887.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,5'-bis(diphenylphosphino)-2,2'-bithiophene
Formula	C32 H24 P2 S2
Calculated formula	C32 H24 P2 S2
SMILES	c1(ccc(s1)c1ccc(P(c2ccccc2)c2ccccc2)s1)P(c1ccccc1)c1ccccc1
Title of publication	Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2001
Journal issue	24
Pages of publication	3352
a	8.954 ± 0.002 Å
b	19.678 ± 0.003 Å
c	8.877 ± 0.002 Å
α	90°
β	117.93 ± 0.02°
γ	90°
Cell volume	1381.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216887.cif
118544	2014-06-30	cif/ Adding structures of 7216887, 7216888, 7216889 via cif-deposit CGI script.	7216887.cif