Crystallography Open Database

Information card for entry 1566115

Preview

Coordinates	1566115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 F N2 O2
Calculated formula	C21 H21 F N2 O2
SMILES	Fc1c(cccc1)C(Nc1c(OC)cccc1)Nc1c(OC)cccc1
Title of publication	A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability
Authors of publication	Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan
Journal of publication	Comptes Rendus Chimie
Year of publication	2014
Journal volume	17
Journal issue	4
Pages of publication	377 - 385
a	12.268 ± 0.003 Å
b	12.391 ± 0.003 Å
c	13.236 ± 0.003 Å
α	75.84 ± 0.03°
β	67.39 ± 0.03°
γ	76.59 ± 0.03°
Cell volume	1779.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.213
Residual factor for significantly intense reflections	0.1258
Weighted residual factors for significantly intense reflections	0.3184
Weighted residual factors for all reflections included in the refinement	0.3737
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
273808 (current)	2022-03-18	cif/1: Fixing Z values and formulae	1566115.cif
272219	2022-01-25	cif/ Adding structures of 1566115, 1566116, 1566117 via cif-deposit CGI script.	1566115.cif