Crystallography Open Database

Information card for entry 4132882

Preview

Coordinates	4132882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N3 O2
Calculated formula	C18 H21 N3 O2
Title of publication	Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.
Authors of publication	Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	39
Pages of publication	12323 - 12327
a	4.9956 ± 0.0002 Å
b	9.5201 ± 0.0004 Å
c	17.7596 ± 0.0007 Å
α	102.122 ± 0.003°
β	92.757 ± 0.003°
γ	90.57 ± 0.003°
Cell volume	824.66 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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