Crystallography Open Database

Information card for entry 7046225

Preview

Coordinates	7046225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 B N2
Calculated formula	C24 H19 B N2
Title of publication	Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).
Authors of publication	Stanoppi, Marco; Lorbach, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10394 - 10398
a	10.4501 ± 0.0008 Å
b	24.7509 ± 0.0016 Å
c	8.0062 ± 0.0006 Å
α	90°
β	120.52 ± 0.005°
γ	90°
Cell volume	1783.9 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7046225.html