Crystallography Open Database

Information card for entry 7159118

Preview

Coordinates	7159118.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2-difluoro-4,6-bis((E)-4-methoxystyryl)-2H-1l3,3,2l4-dioxaborinine
Formula	C23 H23 B F2 O4.5
Calculated formula	C23 H23 B F2 O4.5
Title of publication	Curcumin-based molecular probes for fluorescence imaging of fungi.
Authors of publication	F; e; r; r; e; i; r; a; ,; ; J; o; a; n; a; ; R; ; M; \|; ; A; l; v; e; s; ,; ; M; a; r; i; a; n; a; \|; ; S; o; u; s; a; ,; ; B; &; #; x; e; 1; r b a r a \|; V i e i r a ,; S a n d r a; I \|; S i l v a ,; A r t u r; M; S \|; G u i e u ,; S a m u e l \|; C u n h a ,; & '#' x c 2; n; g; e; l; a; \|; ; N; u; n; e; s; ; d; a; ; S; i; l; v; a; ,; ; R; a; q; u; e; l
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	7
Pages of publication	1531 - 1536
a	8.84 ± 0.02 Å
b	10.7 ± 0.03 Å
c	11.53 ± 0.03 Å
α	66.33 ± 0.05°
β	75.73 ± 0.07°
γ	85.18 ± 0.05°
Cell volume	968 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0894
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
281594 (current)	2023-03-04	cif/ Updating files of 7159117, 7159118 Original log message: Adding full bibliography for 7159117--7159118.cif.	7159118.cif
280615	2023-01-26	cif/ Adding structures of 7159117, 7159118 via cif-deposit CGI script.	7159118.cif