Crystallography Open Database

Information card for entry 7713969

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Coordinates	7713969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 N S4
Calculated formula	C26 H27 N S4
SMILES	S1C(SCCC1)c1ccc(N(c2ccc(cc2)C2SCCCS2)c2ccccc2)cc1
Title of publication	Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers
Authors of publication	Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.4824 ± 0.0007 Å
b	19.6385 ± 0.0009 Å
c	11.7588 ± 0.0008 Å
α	90°
β	111.691 ± 0.007°
γ	90°
Cell volume	2463.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0862
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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