Crystallography Open Database

Information card for entry 1572885

Preview

Coordinates	1572885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 Br2 O2
Calculated formula	C28 H18 Br2 O2
SMILES	c1c(cc2c(c1OC)ccc1c2c2c3c4cc(cc(c4ccc3ccc2cc1)OC)Br)Br
Title of publication	Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.
Authors of publication	Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	46
Pages of publication	21351 - 21359
a	14.9838 ± 0.0013 Å
b	9.3761 ± 0.0009 Å
c	15.4285 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2167.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation probe	x-ray
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
296622 (current)	2024-12-06	cif/ Updating files of 1572885, 1572886 Original log message: Adding full bibliography for 1572885--1572886.cif.	1572885.cif
295545	2024-10-19	cif/ Adding structures of 1572885, 1572886 via cif-deposit CGI script.	1572885.cif