Crystallography Open Database

Information card for entry 7710526

Preview

Coordinates	7710526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Br N3
Calculated formula	C17 H22 Br N3
SMILES	[NH2+]=C(N[C@@H](c1ccccc1)C)N[C@H](C)c1ccccc1.[Br-]
Title of publication	Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.
Authors of publication	Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	29
Pages of publication	10973 - 10982
a	25.435 ± 0.002 Å
b	25.435 ± 0.002 Å
c	7.2225 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	4046.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
277108 (current)	2022-08-06	cif/ Updating files of 7710524, 7710525, 7710526, 7710527 Original log message: Adding full bibliography for 7710524--7710527.cif.	7710526.cif
276140	2022-06-22	cif/ Adding structures of 7710524, 7710525, 7710526, 7710527 via cif-deposit CGI script.	7710526.cif