Crystallography Open Database

Information card for entry 7118001

Preview

Coordinates	7118001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H15 B
Calculated formula	C26 H15 B
SMILES	B12c3c4c(c5c1c(ccc5)c1c5c2cccc5ccc1)cccc4ccc3
Title of publication	A boron-doped helicene as a highly soluble, benchtop-stable green emitter
Authors of publication	Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	87
Pages of publication	15808 - 15810
a	3.9791 ± 0.0012 Å
b	19.948 ± 0.006 Å
c	20.208 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1604 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1732
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7117997
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210724 (current)	2018-09-10	cif/7/11/ Updating bibliography in entries 7117995-7118002. Marking entries 7117995-7117998 as duplicates of entries 7117999-7118002.	7118001.cif
169751	2015-10-26	cif/ Adding structures of 7117995, 7117996, 7117997, 7117998, 7117999, 7118000, 7118001, 7118002 via cif-deposit CGI script.	7118001.cif