Crystallography Open Database

Information card for entry 4130945

Preview

Coordinates	4130945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 F2 I O4
Calculated formula	C7.75 H6.75 F2 I O4
Title of publication	Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.
Authors of publication	Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	39
Pages of publication	12747 - 12750
a	4.7135 ± 0.0004 Å
b	14.0456 ± 0.0013 Å
c	17.2837 ± 0.0016 Å
α	90°
β	97.432 ± 0.003°
γ	90°
Cell volume	1134.64 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.052
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241278 (current)	2019-11-25	cif/ Adding structures of 4130945 via cif-deposit CGI script.	4130945.cif