Crystallography Open Database

Information card for entry 7243453

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Coordinates	7243453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N4 O2 S
Calculated formula	C24 H30 N4 O2 S
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	6.633 ± 0.0013 Å
b	8.53 ± 0.0017 Å
c	19.929 ± 0.004 Å
α	90°
β	94.24 ± 0.03°
γ	90°
Cell volume	1124.5 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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