Crystallography Open Database

Information card for entry 7061040

Preview

Coordinates	7061040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N4 S
Calculated formula	C26 H24 N4 S
Title of publication	Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission
Authors of publication	Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	45
Pages of publication	21236 - 21247
a	8.9131 ± 0.0004 Å
b	11.8184 ± 0.0004 Å
c	21.8914 ± 0.0009 Å
α	91.003 ± 0.003°
β	95.825 ± 0.004°
γ	106.344 ± 0.004°
Cell volume	2198.83 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1872
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271198 (current)	2021-12-07	cif/ Updating files of 7061040, 7061041, 7061042 Original log message: Adding full bibliography for 7061040--7061042.cif.	7061040.cif
270288	2021-11-04	cif/ Adding structures of 7061040, 7061041, 7061042 via cif-deposit CGI script.	7061040.cif