Crystallography Open Database

Information card for entry 7053931

Preview

Coordinates	7053931.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	I-gf, 298 K
Chemical name	2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene
Formula	C33 H33 I3 O3
Calculated formula	C33 H33 I3 O3
Title of publication	The effect of temperature on interhalogen interactions in a series of isostructural organic systems
Authors of publication	Saraswatula, Viswanadha G.; Saha, Binoy K.
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	3
Pages of publication	897
a	9.9304 ± 0.0005 Å
b	13.4111 ± 0.0006 Å
c	24.9283 ± 0.0015 Å
α	90°
β	93.303 ± 0.005°
γ	90°
Cell volume	3314.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.1043
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180093 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/39.	7053931.cif
105643	2014-03-12	cif/ Adding structures of 7053914, 7053915, 7053916, 7053917, 7053918, 7053919, 7053920, 7053921, 7053922, 7053923, 7053924, 7053925, 7053926, 7053927, 7053928, 7053929, 7053930, 7053931, 7053932, 7053933 via cif-deposit CGI script.	7053931.cif