Crystallography Open Database

Information card for entry 1512060

1512059 << 1512060 >> 1512061

Preview

Coordinates	1512060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 O Si
Calculated formula	C15 H16 O Si
SMILES	c12ccccc1C(c1ccccc1)O[Si]2(C)C
Title of publication	The Design, Synthesis and Validation of Recoverable and Readily Reusable Siloxane Transfer Agents for Pd-Catalyzed Cross-Coupling Reactions
Authors of publication	Martinez-Solorio, Dionicio; Hoye, Adam T.; Nguyen, Minh H.; Smith, Amos B.
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2454
a	11.4541 ± 0.0006 Å
b	7.2648 ± 0.0003 Å
c	16.2468 ± 0.0007 Å
α	90°
β	98.293 ± 0.002°
γ	90°
Cell volume	1337.79 ± 0.11 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 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	0.0345
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	1512060.cif
87202	2013-07-14	cif/ Adding structures of 1512060 via cif-deposit CGI script.	1512060.cif