Crystallography Open Database

Information card for entry 8107196

Preview

Coordinates	8107196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 N2 O2
Calculated formula	C21 H26 N2 O2
Title of publication	Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
Authors of publication	Zhao, Ji-Xing; Chen, Da-Qun; Wu, Lei-Fang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	711 - 713
a	7.1425 ± 0.0007 Å
b	9.2733 ± 0.0008 Å
c	14.3161 ± 0.0013 Å
α	90°
β	93.592 ± 0.004°
γ	90°
Cell volume	946.36 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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