Crystallography Open Database

Information card for entry 7247652

Preview

Coordinates	7247652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57.41 B2 N5 O16.21 S4
Calculated formula	C45 H57.402 B2 N5 O16.201 S4
Title of publication	Water-soluble fluorescent chemosensor for sorbitol based on a dicationic diboronic receptor. Crystal structure and spectroscopic studies
Authors of publication	Zamora-Moreno, Julio; Salomón-Flores, María K.; Valdes-García, Josue; Pinzón-Vanegas, Cristian; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Villamil-Ramos, Raúl; Romero-Solano, Miguel Á.; Dorazco-González, Alejandro
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	46
Pages of publication	32185 - 32198
a	11.5675 ± 0.0008 Å
b	14.3355 ± 0.001 Å
c	15.8991 ± 0.0011 Å
α	95.8776 ± 0.0014°
β	100.612 ± 0.0014°
γ	102.337 ± 0.0014°
Cell volume	2503.8 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
287240 (current)	2023-11-02	cif/ Adding structures of 7247652 via cif-deposit CGI script.	7247652.cif