Crystallography Open Database

Information card for entry 7125205

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Structure parameters

Chemical name	(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/dimethyl sulfoxide
Formula	C22 H27 Cl N4 O4 S2
Calculated formula	C22 H27 Cl N4 O4 S2
Title of publication	Hierarchical construction of SHG-active polar crystals by using multi-component crystals.
Authors of publication	Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	94
Pages of publication	13710 - 13713
a	5.99452 ± 0.00011 Å
b	23.7139 ± 0.0004 Å
c	9.33438 ± 0.00017 Å
α	90°
β	108.528 ± 0.0011°
γ	90°
Cell volume	1258.14 ± 0.04 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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