Crystallography Open Database

Information card for entry 2003827

2003826 << 2003827 >> 2003828

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine
Formula	C18 H12 F3 N O
Calculated formula	C18 H12 F3 N O
SMILES	c1c(c(cc2ccccc12)O)/C=N/c1c(cccc1)C(F)(F)F
Title of publication	Two 2,3-Naphthalenic Schiff Bases
Authors of publication	Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	8
Pages of publication	1643 - 1646
a	6.988 ± 0.002 Å
b	14.11 ± 0.003 Å
c	30.133 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2971.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for all reflections	0.1543
Weighted residual factors for significantly intense reflections	0.1497
Goodness-of-fit parameter for all reflections	1.181
Goodness-of-fit parameter for significantly intense reflections	1.212
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.