Crystallography Open Database

Information card for entry 1505854

Preview

Coordinates	1505854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H126 N4 Si6
Calculated formula	C76 H126 N4 Si6
Title of publication	Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.
Authors of publication	Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	4
Pages of publication	757 - 760
a	38.747 ± 0.002 Å
b	13.9582 ± 0.0008 Å
c	15.0445 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8136.6 ± 0.8 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.235
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
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.	1505854.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505854.cif
47793	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505854 via cif-deposit CGI script.	1505854.cif