Crystallography Open Database

Information card for entry 1507023

Preview

Coordinates	1507023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Si2
Calculated formula	C26 H26 Si2
SMILES	[Si]1(C(=Cc2cc3[Si](C(=Cc3cc12)c1ccccc1)(C)C)c1ccccc1)(C)C
Title of publication	General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.
Authors of publication	Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	21
Pages of publication	3707 - 3710
a	6.75 ± 0.004 Å
b	16.542 ± 0.01 Å
c	20.635 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	2304 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
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.	1507023.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507023.cif
51617	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507023 via cif-deposit CGI script.	1507023.cif