Crystallography Open Database

Information card for entry 7062030

7062029 << 7062030 >> 7062031

Preview

Coordinates	7062030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 B F4 O2 Se Te
Calculated formula	C26 H25 B F4 O2 Se Te
Title of publication	Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives
Authors of publication	Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	46
Pages of publication	22363 - 22383
a	10.415 ± 0.008 Å
b	11.443 ± 0.006 Å
c	11.777 ± 0.006 Å
α	61.44 ± 0.03°
β	84.01 ± 0.04°
γ	88.75 ± 0.04°
Cell volume	1225.4 ± 1.4 Å³
Cell temperature	125 K
Ambient diffraction temperature	125.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
280195 (current)	2023-01-06	cif/ Updating files of 7062029, 7062030, 7062031, 7062032, 7062033 Original log message: Adding full bibliography for 7062029--7062033.cif.	7062030.cif
278894	2022-11-01	cif/ Adding structures of 7062029, 7062030, 7062031, 7062032, 7062033 via cif-deposit CGI script.	7062030.cif