Crystallography Open Database

Information card for entry 4113682

Preview

Coordinates	4113682.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Torreyanic Acid
Formula	C38 H49 O8
Calculated formula	C38 H40 O8
Title of publication	Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1
Authors of publication	Chaomin Li; Richard P. Johnson; John A. Porco
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	5095 - 5106
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
178907 (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 4/11/36.	4113682.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113682.cif
66952	2012-09-18	cif/ Adding structures of 4113682 via cif-deposit CGI script.	4113682.cif