Crystallography Open Database

Information card for entry 1508347

Preview

Coordinates	1508347.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,8-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene
Formula	C38 H50 N6 Si2
Calculated formula	C38 H50 N6 Si2
Title of publication	Highly electron-deficient hexaazapentacenes and their dihydro precursors.
Authors of publication	He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	4190 - 4193
a	12.635 ± 0.005 Å
b	12.882 ± 0.005 Å
c	14.664 ± 0.006 Å
α	100.107 ± 0.009°
β	93.769 ± 0.009°
γ	107.794 ± 0.01°
Cell volume	2219.1 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.2634
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	0.755
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508347.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508347.cif
66328	2012-09-09	cif/ Adding structures of 1508347 via cif-deposit CGI script.	1508347.cif