Crystallography Open Database

Information card for entry 1520464

1520463 << 1520464 >> 1520465

Preview

Coordinates	1520464.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	Cadman, Christopher J.; Coles, Simon J.; Croft, Anna K.; Frey, Jeremy G.; Tizzard, Graham J.
Journal of publication	Crystal Structure Report Archive
Year of publication	2010
Pages of publication	1343
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	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520464.cif
138979	2015-06-09	cif/ Adding structures of 1520464 via cif-deposit CGI script.	1520464.cif