Crystallography Open Database

Information card for entry 7023733

Preview

Coordinates	7023733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 B N O2
Calculated formula	C29 H20 B N O2
SMILES	c1(ccccc1)[B]1(c2ccccc2)Oc2c(c3oc4c(cccc4)[n]13)ccc1c2cccc1
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	8.939 ± 0.0018 Å
b	10.462 ± 0.002 Å
c	12.493 ± 0.003 Å
α	99.64 ± 0.03°
β	97.01 ± 0.03°
γ	106.24 ± 0.03°
Cell volume	1088.1 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for all reflections	0.1234
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.0068
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.	7023733.cif
90619	2013-11-18	cif/ Adding structures of 7023730, 7023731, 7023732, 7023733, 7023734, 7023735 via cif-deposit CGI script.	7023733.cif