Crystallography Open Database

Information card for entry 1513277

Preview

Coordinates	1513277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 B10 Cl3
Calculated formula	C31 H19 B10 Cl3
Title of publication	Emission via Aggregation of Alternating Polymers witho-Carborane andp-Phenylene−Ethynylene Sequences
Authors of publication	Kokado, Kenta; Chujo, Yoshiki
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	5
Pages of publication	1418
a	10.501 ± 0.013 Å
b	12.213 ± 0.015 Å
c	14.122 ± 0.018 Å
α	98.95 ± 0.06°
β	106.74 ± 0.05°
γ	106.8 ± 0.05°
Cell volume	1603 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1875
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	1513277.cif
99198	2014-01-30	cif/ Adding structures of 1513277 via cif-deposit CGI script.	1513277.cif