Crystallography Open Database

Information card for entry 7230484

Preview

Coordinates	7230484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N4
Calculated formula	C36 H26 N4
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	9.3712 ± 0.0005 Å
b	12.2475 ± 0.0007 Å
c	12.7385 ± 0.0007 Å
α	92.853 ± 0.005°
β	102.427 ± 0.005°
γ	111.744 ± 0.006°
Cell volume	1312.62 ± 0.14 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.087
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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

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.	7230484.cif
207378	2018-04-17	cif/ Adding structures of 7230483, 7230484 via cif-deposit CGI script.	7230484.cif