Crystallography Open Database

Information card for entry 1515757

Preview

Coordinates	1515757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O4
Calculated formula	C19 H20 O4
SMILES	O(C)c1ccc([C@]2(O[C@]32[C@@](O)(c2ccccc2)COC3)C)cc1
Title of publication	Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.
Authors of publication	Li, Yi; Xu, Ming-Hua
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	2712 - 2715
a	9.5536 ± 0.0009 Å
b	9.8415 ± 0.0011 Å
c	17.0212 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1600.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0373
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	1515757.cif
115910	2014-06-05	cif/ Updating files of 1515757, 1515758 Original log message: Adding full bibliography for 1515757--1515758.cif.	1515757.cif
112047	2014-04-29	cif/ Adding structures of 1515757 via cif-deposit CGI script.	1515757.cif