Crystallography Open Database

Information card for entry 7230335

Preview

Coordinates	7230335.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5Br3SAP-14IbiPh
Chemical name	4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl
Formula	C18 H13 Br I N2 O
Calculated formula	C18 H13 Br I N2 O
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	37.851 ± 0.002 Å
b	6.9901 ± 0.0004 Å
c	6.168 ± 0.003 Å
α	90°
β	90.041 ± 0.002°
γ	90°
Cell volume	1631.9 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7230335.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.	7230335.cif