Crystallography Open Database

Information card for entry 4109234

Preview

Coordinates	4109234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 I O3 Si
Calculated formula	C15 H27 I O3 Si
SMILES	IC[C@]12OC(=O)C[C@]1(C[C@@H](O[Si](C)(C)C(C)(C)C)C2)C.IC[C@@]12OC(=O)C[C@@]1(C[C@H](O[Si](C)(C)C(C)(C)C)C2)C
Title of publication	The Total Synthesis of Spirotenuipesines A and B
Authors of publication	Mingji Dai; Samuel J. Danishefsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3498 - 3499
a	20.338 ± 0.002 Å
b	7.5857 ± 0.0008 Å
c	12.0204 ± 0.0013 Å
α	90°
β	98.046 ± 0.002°
γ	90°
Cell volume	1836.2 ± 0.3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
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	0.0822
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109234.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109234.cif
57989	2012-05-23	cif/ Adding structures of 4109234 via cif-deposit CGI script.	4109234.cif