Crystallography Open Database

Information card for entry 4071995

4071994 << 4071995 >> 4071996

Preview

Coordinates	4071995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B2
Calculated formula	C38 H34 B2
Title of publication	Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene
Authors of publication	Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3639
a	30.2192 ± 0.0012 Å
b	30.2192 ± 0.0012 Å
c	8.4832 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	6709 ± 0.7 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178608 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19.	4071995.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071995.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071995.cif
44163	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071995 via cif-deposit CGI script.	4071995.cif