Crystallography Open Database

Information card for entry 7243501

Preview

Coordinates	7243501.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-chlorophenyl)-7-iodo-3-phenyl-1-benzofuran
Formula	C20 H12 Cl I O
Calculated formula	C20 H12 Cl I O
Title of publication	Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones
Authors of publication	Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	48
Pages of publication	30069 - 30077
a	9.244 ± 0.002 Å
b	9.988 ± 0.003 Å
c	10.515 ± 0.003 Å
α	86.607 ± 0.003°
β	65.448 ± 0.003°
γ	70.67 ± 0.003°
Cell volume	829.8 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
269083 (current)	2021-09-10	cif/ Adding structures of 7243500, 7243501 via cif-deposit CGI script.	7243501.cif