Crystallography Open Database

Information card for entry 7218337

Preview

Coordinates	7218337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 O3
Calculated formula	C21 H14 O3
SMILES	O1c2cccc3c2C(OC)(c2c1ccc1ccccc21)C(=O)C=C3
Title of publication	Oxidative Coupling of 2-Naphthol by Zeolite-Y Supported Homo and Heterometallic Trinuclear Acetate Clusters
Authors of publication	Das, Sameeran Kr.; Mahanta, Sanjeev Pran; Bania, Kusum Kumar
Journal of publication	RSC Adv.
Year of publication	2014
a	8.4034 ± 0.0002 Å
b	6.9101 ± 0.0002 Å
c	25.2649 ± 0.0005 Å
α	90°
β	91.635 ± 0.001°
γ	90°
Cell volume	1466.49 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0459
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180514 (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 7/21/83.	7218337.cif
124546	2014-10-04	cif/ Adding structures of 7218337 via cif-deposit CGI script.	7218337.cif