Crystallography Open Database

Information card for entry 7237708

Preview

Coordinates	7237708.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TXDM
Formula	C27 H21 N O S
Calculated formula	C27 H21 N O S
SMILES	S1c2cc(N(c3ccc(cc3)C)c3ccc(cc3)C)ccc2C(=O)c2c1cccc2
Title of publication	A TADF compound with high-contrast mechano-responsive fluorescence on/off switching for both sequential and combinational logic gates
Authors of publication	Mane, Sunil Kumar Baburao; Mu, Yingxiao; Yang, Zhiyong; Ubba, Eethamukkala; Shaishta, Naghma; Chi, Zhenguo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	12
Pages of publication	3522
a	7.3052 ± 0.0005 Å
b	9.3988 ± 0.0006 Å
c	15.831 ± 0.0011 Å
α	88.905 ± 0.005°
β	80.763 ± 0.006°
γ	77.057 ± 0.005°
Cell volume	1045.45 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0444
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7237708.cif
238544	2019-11-24	cif/ Adding structures of 7237708 via cif-deposit CGI script.	7237708.cif