Crystallography Open Database

Information card for entry 1520343

1520342 << 1520343 >> 1520344

Preview

Coordinates	1520343.cif

Structure parameters

Formula	C17 H14 O
Calculated formula	C17 H14 O
SMILES	c1(cccc2cccc(c12)c1ccc(cc1)C)O
Title of publication	8-p-tolyl-naphthalen-1-ol
Authors of publication	Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	844
a	13.3991 ± 0.0005 Å
b	8.2341 ± 0.0003 Å
c	22.8014 ± 0.0008 Å
α	90°
β	96.356 ± 0.002°
γ	90°
Cell volume	2500.2 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520343.cif
138346	2015-06-05	cif/ Adding structures of 1520343 via cif-deposit CGI script.	1520343.cif