Crystallography Open Database

Information card for entry 1506187

Preview

Coordinates	1506187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 O6
Calculated formula	C32 H40 O6
Title of publication	Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.
Authors of publication	Bérubé, Amélie; Drutu, Ioana; Wood, John L.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	24
Pages of publication	5421 - 5424
a	26.12 ± 0.005 Å
b	9.092 ± 0.0018 Å
c	11.853 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2814.9 ± 0.9 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1169
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.534
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
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.	1506187.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506187.cif
48072	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506187 via cif-deposit CGI script.	1506187.cif