Crystallography Open Database

Information card for entry 4107592

Preview

Coordinates	4107592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H12.5 Cl1.5 F20 O4 S2
Calculated formula	C44.5 H8 Cl1.52 F20 O4 S2
Title of publication	Planar Meso Pentafluorophenyl Core Modified Isophlorins
Authors of publication	J. Sreedhar Reddy; Venkataramanarao G. Anand
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3718 - 3719
a	12.1454 ± 0.0003 Å
b	12.1454 ± 0.0003 Å
c	27.8101 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4102.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1938
Weighted residual factors for all reflections included in the refinement	0.2017
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107592.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107592.cif
55278	2012-05-04	cif/ Adding structures of 4107592 via cif-deposit CGI script.	4107592.cif