Crystallography Open Database

Information card for entry 1504781

Preview

Coordinates	1504781.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(6aR,12aS,12bR)-5-(tert-Butyldimethylsilyloxy)-1,2,3,4,6,6a- hexahydrotetraphene-7,12(12aH,12bH)-dione
Formula	C24 H32 O3 Si
Calculated formula	C24 H32 O3 Si
Title of publication	Highly enantioselective [4 + 2] cycloaddition reactions catalyzed by a chiral N-methyl-oxazaborolidinium cation.
Authors of publication	Canales, Eda; Corey, E. J.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	15
Pages of publication	3271 - 3273
a	10.896 ± 0.0003 Å
b	8.1258 ± 0.0002 Å
c	25.6367 ± 0.0008 Å
α	90°
β	94.007 ± 0.002°
γ	90°
Cell volume	2264.29 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1504781.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504781.cif
42358	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504781 via cif-deposit CGI script.	1504781.cif