Crystallography Open Database

Information card for entry 7241139

Preview

Coordinates	7241139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 B N2 O3
Calculated formula	C34 H27 B N2 O3
SMILES	O=C(O)C([N]1=Cc2c3c(cccc3)ccc2O[B]1(c1ccccc1)c1ccccc1)Cc1c2ccccc2[nH]c1
Title of publication	Boron Schiff bases derived from α-amino acids as nucleoli/cytoplasm cell-staining fluorescent probes in vitro
Authors of publication	Lara-Cerón, Jesús A.; Jiménez Pérez, Víctor M.; Xochicale-Santana, Leonardo; Ochoa, María E.; Chávez-Reyes, Arturo; Muñoz-Flores, Blanca M.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	53
Pages of publication	31748 - 31757
a	16.587 ± 0.009 Å
b	10.184 ± 0.005 Å
c	17.383 ± 0.009 Å
α	90°
β	108.815 ± 0.018°
γ	90°
Cell volume	2779 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
258008 (current)	2020-10-06	cif/ Updating files of 7241139 Original log message: Adding full bibliography for 7241139.cif.	7241139.cif
255686	2020-08-27	cif/ Adding structures of 7241139 via cif-deposit CGI script.	7241139.cif