Crystallography Open Database

Information card for entry 7023732

Preview

Coordinates	7023732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 B N O S
Calculated formula	C29 H20 B N O S
SMILES	s1c2c([n]3c1c1c(O[B]3(c3ccccc3)c3ccccc3)c3c(cccc3)cc1)cccc2
Title of publication	Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.
Authors of publication	Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	15120 - 15132
a	30.418 ± 0.006 Å
b	9.127 ± 0.0018 Å
c	15.996 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4440.9 ± 1.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1608
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.14
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.1252
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7023732.cif
90619	2013-11-18	cif/ Adding structures of 7023730, 7023731, 7023732, 7023733, 7023734, 7023735 via cif-deposit CGI script.	7023732.cif