Crystallography Open Database

Information card for entry 7129192

Preview

Coordinates	7129192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 B Cl2 F2 N3
Calculated formula	C27 H30 B Cl2 F2 N3
SMILES	ClCCl.F[B]1(F)[n]2cccc2=Cc2n1c(c(c2C)CC)/C=C/c1cc2c3N(CCC2)CCCc3c1
Title of publication	Voltage-Induced Fluorescence Lifetime Imaging of a BODIPY Derivative in Giant Unilamellar Vesicles (GUVs) as Neuron Membrane Mimics
Authors of publication	Benniston, A. C.; Sirbu, Dumitru; Tkachenko, Nikolai V.; Zeng, Lingli; Waddell, Paul G.; Botchway, Stanley W.
Journal of publication	Chemical Communications
Year of publication	2021
a	11.074 ± 0.0007 Å
b	11.115 ± 0.0006 Å
c	12.1059 ± 0.0009 Å
α	85.621 ± 0.005°
β	75.257 ± 0.006°
γ	61.941 ± 0.006°
Cell volume	1270.01 ± 0.16 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270272 (current)	2021-11-04	cif/ Adding structures of 7129192 via cif-deposit CGI script.	7129192.cif