Crystallography Open Database

Information card for entry 1504271

Preview

Coordinates	1504271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H37 Cl O5
Calculated formula	C35.6667 H33 Cl O4.5
Title of publication	Palladium(II) acetate catalyzed tandem cycloisomerization and oxidation of arylvinylcyclopropenes using p-benzoquinone as oxidant and pro-nucleophile.
Authors of publication	Zhu, Zhi-Bin; Shi, Min
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	22
Pages of publication	5278 - 5281
a	30.1433 ± 0.0015 Å
b	30.1433 ± 0.0015 Å
c	18.809 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	14801 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2467
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
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.	1504271.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504271.cif
39559	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504271 via cif-deposit CGI script.	1504271.cif