Crystallography Open Database

Information card for entry 7717036

Preview

Coordinates	7717036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Br N3 O2 S
Calculated formula	C18 H14 Br N3 O2 S
Title of publication	Fluorophore-quencher complexes (Cu<sup>2+</sup>/Al<sup>3+</sup>) of coumarin Schiff bases as chemosensors for the detection of L-glutamic acid and L-arginine: <i>in vitro</i> and <i>in vivo</i> studies.
Authors of publication	Ranjani, M.; Thiruppathi, G. A.; Keerthana, V.; Ramya, M.; Kalaivani, P.; Selvakumar, S.; Shankar, R.; Srinivasan, K.; Sundararaj, P.; Prabhakaran, R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	41
Pages of publication	16941 - 16955
a	6.886 ± 0.003 Å
b	12.995 ± 0.005 Å
c	19.157 ± 0.007 Å
α	90°
β	93.108 ± 0.011°
γ	90°
Cell volume	1711.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
296512 (current)	2024-12-06	cif/ Updating files of 7717035, 7717036 Original log message: Adding full bibliography for 7717035--7717036.cif.	7717036.cif
294806	2024-09-20	cif/ Adding structures of 7717035, 7717036 via cif-deposit CGI script.	7717036.cif