Crystallography Open Database

Information card for entry 7243452

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Coordinates	7243452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N4 O2 S2
Calculated formula	C24 H28 N4 O2 S2
Title of publication	Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism
Authors of publication	Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi
Journal of publication	CrystEngComm
Year of publication	2021
a	7.177 ± 0.0014 Å
b	7.455 ± 0.0015 Å
c	11.03 ± 0.002 Å
α	105.64 ± 0.03°
β	97.57 ± 0.03°
γ	90.8 ± 0.03°
Cell volume	562.6 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1284
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2936
Weighted residual factors for all reflections included in the refinement	0.317
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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