Crystallography Open Database

Information card for entry 1503093

Preview

Coordinates	1503093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O
Calculated formula	C26 H24 O
SMILES	O1C=C[C@@]2([C@H]([C@H]1CCc1ccccc1)[C@H]2c1ccccc1)c1ccccc1
Title of publication	Gold catalyzed diastereoselective cascade allylation/enyne cycloisomerization to construct densely functionalized oxygen heterocycles.
Authors of publication	Chen, Zili; Zhang, Yu-Xin; Wang, Ya-Hui; Zhu, Li-Li; Liu, Heng; Li, Xiao-Xiao; Guo, Lin
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	15
Pages of publication	3468 - 3471
a	12.393 ± 0.003 Å
b	5.8186 ± 0.0012 Å
c	14.691 ± 0.003 Å
α	90°
β	111.21 ± 0.03°
γ	90°
Cell volume	987.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	1503093.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503093.cif
37005	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503093 via cif-deposit CGI script.	1503093.cif