Crystallography Open Database

Information card for entry 1513281

Preview

Coordinates	1513281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 B10
Calculated formula	C30 H18 B10
SMILES	[C]1234(c5ccc(cc5)C#Cc5ccccc5)[BH]567[C]89%10(c%11ccc(cc%11)C#Cc%11ccccc%11)[BH]%1146[BH]461[BH]1%122[BH]235[BH]351[BH]782[BH]193[BH]%10%114[BH]6%1251
Title of publication	Luminescentm-Carborane-Based π-Conjugated Polymer
Authors of publication	Kokado, Kenta; Tokoro, Yuichiro; Chujo, Yoshiki
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	8
Pages of publication	2925
a	11.167 ± 0.007 Å
b	7.445 ± 0.004 Å
c	32.828 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	2729 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1706
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1513281.cif
99202	2014-01-30	cif/ Adding structures of 1513281 via cif-deposit CGI script.	1513281.cif