Crystallography Open Database

Information card for entry 7247743

Preview

Coordinates	7247743.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hydrazine bridged 3-pyrollyl BODIPY
Formula	C42 H32 B2 F4 N8
Calculated formula	C42 H32 B2 F4 N8
SMILES	F[B]1(F)[n]2cccc2=C(c2n1c(cc2)c1[nH]c(cc1)/C=N/N=C/c1[nH]c(cc1)c1n2c(cc1)C(=c1[n](ccc1)[B]2(F)F)c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore.
Authors of publication	Behera, Kanhu Charan; Ravikanth, Mangalampalli
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	32584 - 32593
a	11.505 ± 0.003 Å
b	37.012 ± 0.01 Å
c	9.556 ± 0.002 Å
α	90°
β	111.92 ± 0.005°
γ	90°
Cell volume	3775 ± 1.6 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1607
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.1954
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
288909 (current)	2024-01-06	cif/ Updating files of 7247743 Original log message: Adding full bibliography for 7247743.cif.	7247743.cif
287636	2023-11-16	cif/ Adding structures of 7247743 via cif-deposit CGI script.	7247743.cif