Crystallography Open Database

Information card for entry 7230333

Preview

Coordinates	7230333.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3OEt-3SAP
Chemical name	3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol
Formula	C14 H14 N2 O2
Calculated formula	C14 H14 N2 O2
Title of publication	Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives
Authors of publication	Sugiyama, Haruki; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2144
a	41.659 ± 0.005 Å
b	24.658 ± 0.003 Å
c	4.842 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4973.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229094 (current)	2019-11-17	cif/ Updating files of 7230315, 7230316, 7230317, 7230318, 7230319, 7230320, 7230321, 7230322, 7230323, 7230324, 7230325, 7230326, 7230327, 7230328, 7230329, 7230330, 7230331, 7230332, 7230333, 7230334, 7230335 Original log message: Adding full bibliography for 7230315--7230335.cif.	7230333.cif
207034	2018-03-21	cif/ Adding structures of 7230315, 7230316, 7230317, 7230318, 7230319, 7230320, 7230321, 7230322, 7230323, 7230324, 7230325, 7230326, 7230327, 7230328, 7230329, 7230330, 7230331, 7230332, 7230333, 7230334, 7230335 via cif-deposit CGI script.	7230333.cif