Crystallography Open Database

Information card for entry 7057453

Preview

Coordinates	7057453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H35 Br N2
Calculated formula	C22 H35 Br N2
Title of publication	Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals
Authors of publication	Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	12
Pages of publication	10421
a	20.4743 ± 0.001 Å
b	14.5386 ± 0.0006 Å
c	7.5277 ± 0.0004 Å
α	90°
β	100.385 ± 0.003°
γ	90°
Cell volume	2204.05 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1026
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
230553 (current)	2019-11-17	cif/ Updating files of 7057453, 7057454, 7057455, 7057456 Original log message: Adding full bibliography for 7057453--7057456.cif.	7057453.cif
207940	2018-05-23	cif/ Adding structures of 7057453, 7057454, 7057455, 7057456 via cif-deposit CGI script.	7057453.cif