Crystallography Open Database

Information card for entry 7152078

7152077 << 7152078 >> 7152079

Preview

Coordinates	7152078.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NAFTBU
Formula	C21 H21 N O
Calculated formula	C21 H21 N O
Title of publication	Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.
Authors of publication	Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	24
Pages of publication	8268 - 8275
a	8.5131 ± 0.0002 Å
b	12.4731 ± 0.0004 Å
c	15.8417 ± 0.0005 Å
α	90°
β	103.012 ± 0.002°
γ	90°
Cell volume	1638.95 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180306 (current)	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 7/15/20.	7152078.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152078.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7152078.cif
31372	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7152075, 7152076, 7152077, 7152078 via cif-deposit CGI script.	7152078.cif