Crystallography Open Database

Information card for entry 1570936

Preview

Coordinates	1570936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 B F2 N O2
Calculated formula	C14 H14 B F2 N O2
SMILES	F[B]1(F)Oc2c(ccc3c2cccc3)C=[N]1CCOC
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	12.7885 ± 0.0011 Å
b	12.1016 ± 0.0011 Å
c	8.5117 ± 0.0009 Å
α	90°
β	105.467 ± 0.01°
γ	90°
Cell volume	1269.6 ± 0.2 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	1570936.cif
289719	2024-02-06	cif/ Adding structures of 1570934, 1570935, 1570936, 1570937 via cif-deposit CGI script.	1570936.cif