Crystallography Open Database

Information card for entry 7245590

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Coordinates	7245590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H84 Br4 N10 O19
Calculated formula	C70 H84 Br4 N10 O19
Title of publication	Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA
Authors of publication	Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	43
Pages of publication	27826 - 27838
a	10.0659 ± 0.0001 Å
b	11.5585 ± 0.0002 Å
c	16.0001 ± 0.0002 Å
α	91.9737 ± 0.0005°
β	100.254 ± 0.0005°
γ	92.6788 ± 0.0005°
Cell volume	1828.1 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0292
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278274 (current)	2022-09-30	cif/ Adding structures of 7245590, 7245591 via cif-deposit CGI script.	7245590.cif