Crystallography Open Database

Information card for entry 1506154

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Structure parameters

Formula	C27 H29 N O2 Si
Calculated formula	C27 H29 N O2 Si
SMILES	c1(cc2ccccc2cc1)[C@@H](C)NC(=O)[C@H](O)C(=C\C#Cc1ccccc1)\[Si](C)(C)C
Title of publication	Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.
Authors of publication	Cho, Chang-Woo; Krische, Michael J.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3873 - 3876
a	6.0952 ± 0.0003 Å
b	16.8339 ± 0.0008 Å
c	11.9653 ± 0.0006 Å
α	90°
β	96.885 ± 0.002°
γ	90°
Cell volume	1218.86 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0572
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506154.cif
176729	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.	1506154.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506154.cif
48042	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506154 via cif-deposit CGI script.	1506154.cif