Crystallography Open Database

Information card for entry 1504735

Preview

Coordinates	1504735.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HUI2244
Formula	C24 H44 Br N O4 Si2
Calculated formula	C24 H44 Br N O4 Si2
SMILES	C([C@@H](C(=O)O)[C@](C)(C(=C\[Si](C)(C)C(C)(C)C)\Br)C[C@@H](C#N)[Si](C)(C)C(C)(C)C)C(=O)OC.C([C@H](C(=O)O)[C@@](C)(C(=C\[Si](C)(C)C(C)(C)C)\Br)C[C@H](C#N)[Si](C)(C)C(C)(C)C)C(=O)OC
Title of publication	Toward the synthesis of cobyric acid. Enantioselective syntheses of completely differentiated ring D synthons.
Authors of publication	Wang, Hui; Tassa, Carlos; Jacobi, Peter A.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2837 - 2840
a	15.0005 ± 0.0002 Å
b	14.8773 ± 0.0003 Å
c	14.1645 ± 0.0002 Å
α	90°
β	92.787 ± 0.001°
γ	90°
Cell volume	3157.31 ± 0.09 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	6
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	0.0879
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2071
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1504735.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504735.cif
42327	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504735 via cif-deposit CGI script.	1504735.cif