Crystallography Open Database

Information card for entry 7063632

Preview

Coordinates	7063632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 Br N4 O3
Calculated formula	C38 H41 Br N4 O3
Title of publication	Fabrication of a novel AIE active chemosensor for selective detection of Pd(ii) and picric acid: extended detection in the HeLa cancer cell line
Authors of publication	Das, Susmita; Das, Manik; Biswas, Raju; Das, Uttam Kumar; Laha, Soumik; Samanta, Bidhan Chandra; Choudhuri, Indranil; Bhattacharya, Nandan; Maity, Tithi
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	10
Pages of publication	4021 - 4034
a	11.899 ± 0.004 Å
b	12.929 ± 0.004 Å
c	13.569 ± 0.005 Å
α	63.285 ± 0.01°
β	70.822 ± 0.011°
γ	70.907 ± 0.01°
Cell volume	1720.9 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1475
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
298985 (current)	2025-04-05	cif/ Updating files of 7063632 Original log message: Adding full bibliography for 7063632.cif.	7063632.cif
297583	2025-02-04	cif/ Adding structures of 7063632 via cif-deposit CGI script.	7063632.cif