Crystallography Open Database

Information card for entry 1518583

Preview

Coordinates	1518583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 O2
Calculated formula	C14 H18 O2
SMILES	O=C1C[C@H]([C@]2(C(=C1)C(=O)[C@@H]1[C@H]2C1(C)C)C)C
Title of publication	Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.
Authors of publication	Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	461 - 463
a	8.0591 ± 0.0004 Å
b	9.6081 ± 0.0005 Å
c	15.5767 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1206.14 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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.	1518583.cif
133000	2015-03-04	cif/ Updating files of 1518583 Original log message: Adding full bibliography for 1518583.cif.	1518583.cif
129962	2015-01-17	cif/ Adding structures of 1518583 via cif-deposit CGI script.	1518583.cif