Crystallography Open Database

Information card for entry 7246196

Preview

Coordinates	7246196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 O4
Calculated formula	C32 H26 O4
SMILES	O(C(=O)c1ccc(cc1)/C=C/c1c2c(c(c3c(OC)ccc(OC)c3)c3c1cccc3)cccc2)C
Title of publication	Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters
Authors of publication	Chakraborty, Madhuparna; Chakravarty, Manab
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	7
Pages of publication	1126 - 1135
a	12.0602 ± 0.0004 Å
b	8.4487 ± 0.0003 Å
c	23.7592 ± 0.0008 Å
α	90°
β	92.455 ± 0.003°
γ	90°
Cell volume	2418.67 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
281451 (current)	2023-03-04	cif/ Updating files of 7246194, 7246195, 7246196, 7246197 Original log message: Adding full bibliography for 7246194--7246197.cif.	7246196.cif
280561	2023-01-25	cif/ Adding structures of 7246194, 7246195, 7246196, 7246197 via cif-deposit CGI script.	7246196.cif