Crystallography Open Database

Information card for entry 1504753

Preview

Coordinates	1504753.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl) -2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
Formula	C20 H40 O2 Si
Calculated formula	C20 H40 O2 Si
SMILES	[Si](OC[C@@]1(C)[C@H](CCO)C(=C(C)C)CC[C@H]1C)(C(C)(C)C)(C)C
Title of publication	Total synthesis and structural confirmation of ent-galbanic acid and marneral.
Authors of publication	Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2853 - 2856
a	24.631 ± 0.007 Å
b	24.631 ± 0.007 Å
c	7.397 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4488 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71069 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.	1504753.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504753.cif
42338	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504753 via cif-deposit CGI script.	1504753.cif