Crystallography Open Database

Information card for entry 4111187

Preview

Coordinates	4111187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H75 B2 Cl3 N2
Calculated formula	C83 H74 B2 Cl3 N2
Title of publication	Highly Emissive Organic Solids Containing 2,5-Diboryl-1,4-phenylene Unit
Authors of publication	Cui-Hua Zhao; Atsushi Wakamiya; Yuko Inukai; Shigehiro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15934 - 15935
a	38.958 ± 0.006 Å
b	10.1794 ± 0.0014 Å
c	18.833 ± 0.003 Å
α	90°
β	113.247 ± 0.0005°
γ	90°
Cell volume	6862.2 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111187.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111187.cif
60712	2012-06-18	cif/ Adding structures of 4111187 via cif-deposit CGI script.	4111187.cif