Crystallography Open Database

Information card for entry 7243169

Preview

Coordinates	7243169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 B10 N
Calculated formula	C21 H25 B10 N
SMILES	c1cc(cc2c3ccccc3n(c12)C)[C]1234[C]567(c8ccccc8)[BH]892[BH]2%10%11[BH]%1218[BH]182[BH]23%12[BH]3%128[BH]8%111[BH]59%10[BH]7%128[BH]4623
Title of publication	Alteration of intramolecular electronic transition via deboronation of carbazole-based o-carboranyl compound and intriguing ‘turn-on’ emissive variation
Authors of publication	Lee, Seok Ho; Mun, Min Sik; Kim, Mingi; Lee, Ji Hye; Hwang, Hyonseok; Lee, Wonchul; Lee, Kang Mun
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	39
Pages of publication	24057 - 24064
a	12.573 ± 0.003 Å
b	14.319 ± 0.003 Å
c	13.473 ± 0.003 Å
α	90°
β	113.15 ± 0.03°
γ	90°
Cell volume	2230.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1892
Residual factor for significantly intense reflections	0.1115
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1
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
267368 (current)	2021-07-08	cif/ Adding structures of 7243169 via cif-deposit CGI script.	7243169.cif