Crystallography Open Database

Information card for entry 7230321

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Structure parameters

Common name	5Br3SAP-BA
Chemical name	4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/benzoic acid
Formula	C19 H15 Br N2 O3
Calculated formula	C19 H15 Br N2 O3
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	32.6081 ± 0.0014 Å
b	6.1424 ± 0.0003 Å
c	17.8481 ± 0.0008 Å
α	90°
β	106.922 ± 0.003°
γ	90°
Cell volume	3420 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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