Crystallography Open Database

Information card for entry 7719098

7719097 << 7719098 >> 7719099

Preview

Coordinates	7719098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 B2 N4 O7
Calculated formula	C46 H52 B2 N4 O7
Title of publication	Fluorescent Chemosensing of Epinephrine by a Bis-Boronic Molecular Receptor in Aqueous Media. Crystal Structure, Spectroscopic Studies and Visual Detection
Authors of publication	Viviano-Posadas, Alejandro O.; Valdes-García, Josue; Salomón-Flores, María Karina; Martínez-Otero, Diego; Bautista-Renedo, Joanatan; Gonzalez-Rivas, Nelly; Sánchez-Vidal, Hilda; German-Acacio, Juan Manuel; Valdes-Martinez, Jesus; Dorazco-González, Alejandro
Journal of publication	Dalton Transactions
Year of publication	2025
a	11.243 ± 0.0005 Å
b	12.2677 ± 0.0005 Å
c	15.3833 ± 0.0007 Å
α	100.271 ± 0.0009°
β	96.29 ± 0.0009°
γ	90.5628 ± 0.0009°
Cell volume	2074.25 ± 0.16 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	0.0552
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301255 (current)	2025-07-15	cif/ Adding structures of 7719098, 7719099 via cif-deposit CGI script.	7719098.cif