Crystallography Open Database

Information card for entry 1507744

Preview

Coordinates	1507744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O4
Calculated formula	C17 H22 O4
SMILES	O1[C@@H]2C[C@H]([C@]([C@@H]3CCCC(=C23)C1=O)(C(=O)OC)CC=C)C.O1[C@H]2C[C@@H]([C@@]([C@H]3CCCC(=C23)C1=O)(C(=O)OC)CC=C)C
Title of publication	Total synthesis of (-)-teucvidin.
Authors of publication	Liu, Xiaozu; Lee, Chi-Sing
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	2886 - 2889
a	8.2806 ± 0.0006 Å
b	8.7559 ± 0.0002 Å
c	11.7722 ± 0.0002 Å
α	84.347 ± 0.007°
β	73.511 ± 0.007°
γ	68.007 ± 0.005°
Cell volume	758.84 ± 0.07 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507744.cif
176729	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.	1507744.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507744.cif
59833	2012-06-13	cif/ Adding structures of 1507744 via cif-deposit CGI script.	1507744.cif