Crystallography Open Database

Information card for entry 1530387

Preview

Coordinates	1530387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H59 N O4 Si2
Calculated formula	C32 H59 N O4 Si2
SMILES	[Si](CCCC(NC(=O)OCc1ccccc1)(C(=O)OC(C)(C)C)CCC[Si](CC)(CC)CC)(CC)(CC)CC
Title of publication	Access to α,α-Disubstituted Disilylated Amino Acids and Their Use in Solid-Phase Peptide Synthesis.
Authors of publication	Fanelli, Roberto; Salah, Khoubaib Ben Haj; Inguimbert, Nicolas; Didierjean, Claude; Martinez, Jean; Cavelier, Florine
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	18
Pages of publication	4498 - 4501
a	16.472 ± 0.002 Å
b	18.563 ± 0.0004 Å
c	11.996 ± 0.002 Å
α	90°
β	92.581 ± 0.01°
γ	90°
Cell volume	3664.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1530387.cif
160560	2015-10-06	cif/ Updating files of 1530387 Original log message: Adding full bibliography for 1530387.cif.	1530387.cif
155474	2015-09-09	cif/ Adding structures of 1530387 via cif-deposit CGI script.	1530387.cif