Crystallography Open Database

Information card for entry 7153128

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Structure parameters

Formula	C17 H18 O4
Calculated formula	C17 H18 O4
SMILES	c1(cc(cc(c1)OC)OC)/C=C\c1cc(c(cc1)OC)O
Title of publication	CuI/1,10-phen/PEG promoted decarboxylation of 2,3-diarylacrylic acids: synthesis of stilbenes under neutral and microwave conditions with an in situ generated recyclable catalyst.
Authors of publication	Zou, Yong; Huang, Qi; Huang, Tong-Kun; Ni, Qing-Chun; Zhang, En-Sheng; Xu, Tian-Long; Yuan, Mu; Li, Jun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	40
Pages of publication	6967 - 6974
a	11.82 ± 0.003 Å
b	8.1262 ± 0.0018 Å
c	18.945 ± 0.003 Å
α	90°
β	125.565 ± 0.01°
γ	90°
Cell volume	1480.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0667
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153128.cif
180317	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/31.	7153128.cif
88970	2013-10-09	cif/ Adding structures of 7153128 via cif-deposit CGI script.	7153128.cif