Crystallography Open Database

Information card for entry 7157523

Preview

Coordinates	7157523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Br3 N O2
Calculated formula	C8 H6 Br3 N O2
SMILES	c1(ccc(cc1)C(CBr)(Br)Br)N(=O)=O
Title of publication	Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.
Authors of publication	Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	24
Pages of publication	4583 - 4589
a	7.016 ± 0.002 Å
b	16.476 ± 0.006 Å
c	19.291 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2230 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253974 (current)	2020-07-06	cif/ Updating files of 7157523, 7157524 Original log message: Adding full bibliography for 7157523--7157524.cif.	7157523.cif
252474	2020-05-30	cif/ Adding structures of 7157523, 7157524 via cif-deposit CGI script.	7157523.cif