Crystallography Open Database

Information card for entry 1504683

Preview

Coordinates	1504683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 O5
Calculated formula	C16 H24 O5
SMILES	O1[C@@H](C(C)(C)C)[C@]23C[C@@H]4O[C@@H](OC(=O)C)[C@H]1[C@]2(O4)CCC3.O1[C@H](C(C)(C)C)[C@@]23C[C@H]4O[C@H](OC(=O)C)[C@@H]1[C@@]2(O4)CCC3
Title of publication	Microwave-accelerated competing domino processes: a tether-controlled dual pathway into high molecular complexity.
Authors of publication	Elkhayat, Zobida; Safir, Imad; Castellote, Isabel; Retailleau, Pascal; Arseniyadis, Siméon
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2219 - 2222
a	14.643 ± 0.006 Å
b	15.655 ± 0.006 Å
c	6.819 ± 0.004 Å
α	90°
β	102.06 ± 0.03°
γ	90°
Cell volume	1528.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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.	1504683.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504683.cif
42284	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504683 via cif-deposit CGI script.	1504683.cif