Crystallography Open Database

Information card for entry 8106028

Preview

Coordinates	8106028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl N3 O3
Calculated formula	C20 H27 Cl N3 O3
SMILES	[Cl-].Oc1cc(N(CC)CC)ccc1/C=N/c1ccc(cc1)C(=N\OC)\C.O
Title of publication	Crystal structure of (E)-1-(4-{[(E)-4-Diethylamino-2-hydroxybenzene methylene]amino}phenyl)ethanone methoxy oxime, C20H27ClN3O3
Authors of publication	Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	9 - 11
a	10.7351 ± 0.0005 Å
b	14.1177 ± 0.0006 Å
c	14.3355 ± 0.0009 Å
α	90°
β	101.284 ± 0.006°
γ	90°
Cell volume	2130.62 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0774
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279140 (current)	2022-11-09	cif/ Adding structures of 8106028 via cif-deposit CGI script.	8106028.cif