Crystallography Open Database

Information card for entry 1542923

Preview

Coordinates	1542923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 O Si
Calculated formula	C17 H26 O Si
SMILES	[Si](c1coc2c1cccc2)(C(C)C)(C(C)C)C(C)C
Title of publication	Rhodium-Catalyzed Cycloisomerization of 2-Silylethynyl Phenols and Anilines via 1,2-Silicon Migration.
Authors of publication	Kanno, Hiroshi; Nakamura, Kyosuke; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1654 - 1657
a	8.7087 ± 0.0002 Å
b	31.9349 ± 0.0006 Å
c	14.3643 ± 0.0003 Å
α	90°
β	123.574 ± 0.001°
γ	90°
Cell volume	3328.42 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0399
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181442 (current)	2016-04-04	cif/ Updating files of 1542923 Original log message: Adding full bibliography for 1542923.cif.	1542923.cif
179280	2016-03-23	cif/ Adding structures of 1542923 via cif-deposit CGI script.	1542923.cif