Crystallography Open Database

Information card for entry 7243366

Preview

Coordinates	7243366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cl N3.5 O8.5 Zn
Calculated formula	C27 H28 Cl N4 O8 Zn
SMILES	[Zn]1234(Oc5ccccc5C=[N]3Cc3[n]4cccc3)Oc3c(C=[N]1Cc1[n]2cccc1)cccc3.Cl(=O)(=O)(=O)[O-].O.OC
Title of publication	From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base
Authors of publication	Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2021
a	27.9433 ± 0.0017 Å
b	13.2179 ± 0.0008 Å
c	31.7637 ± 0.0017 Å
α	90°
β	107.063 ± 0.002°
γ	90°
Cell volume	11215.6 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7243366.cif
268045	2021-08-12	cif/ Adding structures of 7243365, 7243366 via cif-deposit CGI script.	7243366.cif