Crystallography Open Database

Information card for entry 8103160

Preview

Coordinates	8103160.cif

Structure parameters

Chemical name	2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene
Formula	C11.5 H11 Br O
Calculated formula	C11.5 H11 Br O
Title of publication	Crystal structure of 2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene, C23H22Br2O2
Authors of publication	Wei-Qiu Kan; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	403
a	8.6594 ± 0.0007 Å
b	7.973 ± 0.0006 Å
c	15.1266 ± 0.0008 Å
α	90°
β	94.539 ± 0.006°
γ	90°
Cell volume	1041.09 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103160.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103160.cif
29149	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103160 via cif-deposit CGI script.	8103160.cif