Crystallography Open Database

Information card for entry 4106278

Preview

Coordinates	4106278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N Si
Calculated formula	C23 H21 N Si
SMILES	c12c(c3c(cccc3)n1c1ccc(cc1)C)c1ccccc1[Si]2(C)C
Title of publication	Palladium-Catalyzed Synthesis of Benzosilolo[2,3-b]indoles via Cleavage of a C(sp3)-Si Bond and Consequent Intramolecular C(sp2)-Si Coupling
Authors of publication	Yun Liang; Shaoguang Zhang; Zhenfeng Xi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9204 - 9207
a	19.804 ± 0.004 Å
b	20.045 ± 0.004 Å
c	14.952 ± 0.003 Å
α	90°
β	106.03 ± 0.03°
γ	90°
Cell volume	5705 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2289
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.529
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
178808 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62.	4106278.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106278.cif
53076	2012-04-17	cif/ Adding structures of 4106278 via cif-deposit CGI script.	4106278.cif