Crystallography Open Database

Information card for entry 1570934

Preview

Coordinates	1570934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 B F2 N O2
Calculated formula	C10 H12 B F2 N O2
SMILES	F[B]1(F)Oc2c(C=[N]1CCOC)cccc2
Title of publication	Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.
Authors of publication	Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi
Journal of publication	Soft matter
Year of publication	2024
Journal volume	20
Journal issue	9
Pages of publication	2178 - 2184
a	5.8281 ± 0.0011 Å
b	11.54 ± 0.002 Å
c	15.611 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1049.9 ± 0.3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation probe	x-ray
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
290287 (current)	2024-03-04	cif/ Updating files of 1570934, 1570935, 1570936, 1570937 Original log message: Adding full bibliography for 1570934--1570937.cif.	1570934.cif
289719	2024-02-06	cif/ Adding structures of 1570934, 1570935, 1570936, 1570937 via cif-deposit CGI script.	1570934.cif