Crystallography Open Database

Information card for entry 7218902

Preview

Coordinates	7218902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 O3
Calculated formula	C16 H12 O3
SMILES	o1c2ccc(OC)cc2c(=O)cc1c1ccccc1
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	13.5324 ± 0.0008 Å
b	7.0687 ± 0.0004 Å
c	25.6858 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2457 ± 0.3 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	7218902.cif
127884	2014-11-25	cif/ Adding structures of 7218900, 7218901, 7218902 via cif-deposit CGI script.	7218902.cif