Crystallography Open Database

Information card for entry 1507114

Preview

Coordinates	1507114.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetrabromobutatriene
Formula	C28 H16 Br4 N4
Calculated formula	C14 H8 Br2 N2
Title of publication	Tetrabromobutatriene: completing the perhalocumulene series.
Authors of publication	Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	13
Pages of publication	2081 - 2083
a	5.9234 ± 0.001 Å
b	10.559 ± 0.0018 Å
c	11.2497 ± 0.0019 Å
α	67.095 ± 0.003°
β	85.57 ± 0.003°
γ	79.756 ± 0.003°
Cell volume	637.78 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507114.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507114.cif
51686	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507114 via cif-deposit CGI script.	1507114.cif