Crystallography Open Database

Information card for entry 7113046

Preview

Coordinates	7113046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Br I O2
Calculated formula	C20 H13 Br I O2
Title of publication	Interchromophore orientation scaffolding by m-terphenyl oxacyclophanes.
Authors of publication	Mangalum, Anshuman; Morgan, Brad P.; Hanley, Jessica M.; Jecen, Kristine M.; McGill, Charles J.; Robertson, Grant A.; Smith, Rhett C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5136 - 5138
a	21.861 ± 0.003 Å
b	21.861 ± 0.003 Å
c	16.153 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7720 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7113046.cif
112220	2014-04-30	cif/ Adding structures of 7113043, 7113044, 7113045, 7113046 via cif-deposit CGI script.	7113046.cif