Crystallography Open Database

Information card for entry 4518173

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Structure parameters

Common name	Charles56b (Nansi)
Formula	C24 H16 Br2 F6 N P
Calculated formula	C24 H16 Br2 F6 N P
SMILES	Brc1ccc([N+]2(c3ccccc3c3ccccc23)c2ccc(Br)cc2)cc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.
Authors of publication	Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
a	8.9254 ± 0.0014 Å
b	17.366 ± 0.003 Å
c	15.62 ± 0.002 Å
α	90°
β	103.842 ± 0.004°
γ	90°
Cell volume	2350.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.1136
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4518173.cif
258581	2020-10-24	cif/ Adding structures of 4518173 via cif-deposit CGI script.	4518173.cif