Crystallography Open Database

Information card for entry 4120401

4120400 << 4120401 >> 4120402

Preview

Coordinates	4120401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H42 S2
Calculated formula	C47 H42 S2
Title of publication	C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores
Authors of publication	Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12892 - 12907
a	8.7038 ± 0.0009 Å
b	9.9052 ± 0.001 Å
c	11.359 ± 0.0011 Å
α	83.376 ± 0.008°
β	84.245 ± 0.008°
γ	73.208 ± 0.008°
Cell volume	928.97 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120401.html