Crystallography Open Database

Information card for entry 7053925

Preview

Coordinates	7053925.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Br-gf, 298 K
Chemical name	2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene
Formula	C33 H33 Br3 O3
Calculated formula	C33 H33 Br3 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	9.6977 ± 0.0005 Å
b	13.4907 ± 0.0007 Å
c	23.9687 ± 0.0019 Å
α	90°
β	92.416 ± 0.006°
γ	90°
Cell volume	3133 ± 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	0.2023
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053925.html