Crystallography Open Database

Information card for entry 4109235

Preview

Coordinates	4109235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 O4
Calculated formula	C14.999 H22 O4
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	10.5 ± 0.002 Å
b	10.555 ± 0.002 Å
c	13.766 ± 0.003 Å
α	68.292 ± 0.004°
β	82.567 ± 0.004°
γ	77.468 ± 0.003°
Cell volume	1381.7 ± 0.5 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1674
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.2054
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
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.	4109235.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109235.cif
57990	2012-05-23	cif/ Adding structures of 4109235 via cif-deposit CGI script.	4109235.cif