Crystallography Open Database

Information card for entry 4116217

Preview

Coordinates	4116217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H49 O8
Calculated formula	C38 H40 O8
Title of publication	Total Synthesis of (\±)-Torreyanic Acid
Authors of publication	Chaomin Li; Emil Lobkovsky; John A. Porco
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	10484 - 10485
a	8.1252 ± 0.0012 Å
b	13.613 ± 0.002 Å
c	16.659 ± 0.003 Å
α	82.429 ± 0.005°
β	78.351 ± 0.005°
γ	73.558 ± 0.005°
Cell volume	1725.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0951
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
178933 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62.	4116217.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116217.cif
70798	2013-01-05	cif/ Adding structures of 4116217 via cif-deposit CGI script.	4116217.cif