Crystallography Open Database

Information card for entry 7048416

Preview

Coordinates	7048416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26
Calculated formula	C22 H26
Title of publication	Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.
Authors of publication	John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1871 - 1877
a	11.4961 ± 0.0018 Å
b	9.9907 ± 0.0014 Å
c	15.608 ± 0.003 Å
α	90°
β	96.664 ± 0.013°
γ	90°
Cell volume	1780.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
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	0.1256
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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/7048416.html