Crystallography Open Database

Information card for entry 7056921

Preview

Coordinates	7056921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 B F6 N3
Calculated formula	C17 H12 B F6 N3
SMILES	[B]1([n]2cccc2=C(c2c(c(F)c(c(c2F)F)N(C)C)F)c2cccn12)(F)F
Title of publication	A “turn-on-and-off” pH sensitive BODIPY fluorescent probe for imaging E. coli cells
Authors of publication	Prasannan, Dijo; Arunkumar, Chellaiah
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	5
Pages of publication	3473
a	6.8499 ± 0.0004 Å
b	25.8041 ± 0.0017 Å
c	9.4897 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1677.36 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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