Crystallography Open Database

Information card for entry 1572543

Preview

Coordinates	1572543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 N9 O4
Calculated formula	C39 H29 N9 O4
SMILES	O=C(N/N=C/c1c2ncccc2ccc1)c1cc(C(=O)N/N=C/c2cccc3c2nccc3)cc(c1)C(=O)N/N=C/c1cccc2c1nccc2.O
Title of publication	Exploring the gelation and AIE properties of a tripodal acylhydrazone-based probe: turn-on Zn(II) sensing in HEPES buffer.
Authors of publication	Moral, Rubi; Das, Gopal
Journal of publication	Soft matter
Year of publication	2024
Journal volume	20
Journal issue	38
Pages of publication	7668 - 7677
a	8.3334 ± 0.0012 Å
b	11.9948 ± 0.0017 Å
c	16.823 ± 0.002 Å
α	94.916 ± 0.004°
β	99.085 ± 0.004°
γ	94.038 ± 0.004°
Cell volume	1648.3 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 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	0.1358
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2168
Weighted residual factors for all reflections included in the refinement	0.2981
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
295348 (current)	2024-10-06	cif/ Updating files of 1572543 Original log message: Adding full bibliography for 1572543.cif.	1572543.cif
294695	2024-09-10	cif/ Adding structures of 1572543 via cif-deposit CGI script.	1572543.cif