Crystallography Open Database

Information card for entry 1504569

Preview

Coordinates	1504569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 O2
Calculated formula	C24 H24 O2
SMILES	O1C2=C(c3c(CCC2)cccc3)CCC21C(=O)CCCc1ccccc21
Title of publication	Iodine(III)-promoted ring expansion of 1-vinylcycloalkanol derivatives: a metal-free approach toward seven-membered rings.
Authors of publication	Silva, Jr, Luiz F; Vasconcelos, Ramon S.; Nogueira, Mário A
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	5
Pages of publication	1017 - 1020
a	7.746 ± 0.002 Å
b	9.39 ± 0.002 Å
c	13.269 ± 0.01 Å
α	78.439 ± 0.003°
β	74.706 ± 0.004°
γ	78.919 ± 0.002°
Cell volume	902.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1392
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	1504569.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504569.cif
42182	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504569 via cif-deposit CGI script.	1504569.cif