Crystallography Open Database

Information card for entry 7218901

Preview

Coordinates	7218901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 O2
Calculated formula	C13 H8 O2
SMILES	O1c2c(C(=O)c3c1cccc3)cccc2
Title of publication	FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives
Authors of publication	Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	109
Pages of publication	63632
a	4.8978 ± 0.0014 Å
b	13.654 ± 0.005 Å
c	14.129 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	944.9 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1625
Residual factor for significantly intense reflections	0.11
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218901.cif
127884	2014-11-25	cif/ Adding structures of 7218900, 7218901, 7218902 via cif-deposit CGI script.	7218901.cif