Crystallography Open Database

Information card for entry 1514334

Preview

Coordinates	1514334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 I N O3 Si
Calculated formula	C18 H34 I N O3 Si
SMILES	IC(=C\[C@@H](C)[C@H]1OC(=O)N[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)\C
Title of publication	Synthetic Strategy toward the C44-C65 Fragment of Mirabalin.
Authors of publication	Echeverria, Pierre-Georges; Prévost, Sébastien; Cornil, Johan; Férard, Charlène; Reymond, Sébastien; Guérinot, Amandine; Cossy, Janine; Ratovelomanana-Vidal, Virginie; Phansavath, Phannarath
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	2390 - 2393
a	13.5145 ± 0.0004 Å
b	22.4036 ± 0.0007 Å
c	22.9937 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6961.9 ± 0.4 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1523
Residual factor for significantly intense reflections	0.1146
Weighted residual factors for significantly intense reflections	0.2809
Weighted residual factors for all reflections included in the refinement	0.3152
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1514334.cif
112820	2014-05-04	cif/ Updating files of 1514334 Original log message: Adding full bibliography for 1514334.cif.	1514334.cif
109431	2014-04-12	cif/ Adding structures of 1514334 via cif-deposit CGI script.	1514334.cif