Crystallography Open Database

Information card for entry 7021877

Preview

Coordinates	7021877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B2
Calculated formula	C30 H30 B2
SMILES	B1(c2ccccc2B(c2c1cccc2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.
Authors of publication	Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	38
Pages of publication	13826 - 13837
a	12.835 ± 0.0012 Å
b	22.061 ± 0.003 Å
c	9.0732 ± 0.0008 Å
α	90°
β	107.478 ± 0.007°
γ	90°
Cell volume	2450.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
179923 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/18.	7021877.cif
88845	2013-10-09	cif/ Adding structures of 7021877, 7021878, 7021879, 7021880, 7021881, 7021882, 7021883 via cif-deposit CGI script.	7021877.cif