Crystallography Open Database

Information card for entry 7230483

Preview

Coordinates	7230483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 N2
Calculated formula	C36 H32 N2
Title of publication	Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.
Authors of publication	Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	17
Pages of publication	11867 - 11875
a	38.7879 ± 0.001 Å
b	8.0972 ± 0.0002 Å
c	8.3462 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2621.32 ± 0.11 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230918 (current)	2019-11-17	cif/ Updating files of 7230483, 7230484 Original log message: Adding full bibliography for 7230483--7230484.cif.	7230483.cif
207378	2018-04-17	cif/ Adding structures of 7230483, 7230484 via cif-deposit CGI script.	7230483.cif