Crystallography Open Database

Information card for entry 1502167

Preview

Coordinates	1502167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 O3 Si
Calculated formula	C18 H34 O3 Si
SMILES	[C@]12(CCC(=CC[C@@]1(CO)CC[C@@H]2[C@@H](C)CO)C)O[Si](C)(C)C.[C@@]12(CCC(=CC[C@]1(CO)CC[C@H]2[C@H](C)CO)C)O[Si](C)(C)C
Title of publication	A concise approach for the total synthesis of pseudolaric acid A.
Authors of publication	Xu, Tao; Li, Chuang-chuang; Yang, Zhen
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	2630 - 2633
a	25.618 ± 0.005 Å
b	11.614 ± 0.002 Å
c	13.245 ± 0.003 Å
α	90°
β	99.86 ± 0.03°
γ	90°
Cell volume	3882.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0992
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	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.	1502167.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502167.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502167.cif
35484	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502167 via cif-deposit CGI script.	1502167.cif