Crystallography Open Database

Information card for entry 1557633

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Structure parameters

Formula	C26 H10 B Br F15 N
Calculated formula	C26 H10 B Br F15 N
SMILES	CN(C)c1ccc(cc1)Br.B(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions
Authors of publication	Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	17
Pages of publication	4305 - 4311
a	7.3 ± 0.005 Å
b	11.867 ± 0.008 Å
c	15.598 ± 0.009 Å
α	78.16 ± 0.04°
β	80.45 ± 0.04°
γ	88.78 ± 0.05°
Cell volume	1304.1 ± 1.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1239
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	0.834
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557633.cif
257319	2020-10-06	cif/ Updating files of 1557633 Original log message: Adding full bibliography for 1557633.cif.	1557633.cif
252725	2020-06-05	cif/ Updating files of 1557633 Original log message: Adding full bibliography for 1557633.cif.	1557633.cif
249592	2020-03-21	cif/ Adding structures of 1557633 via cif-deposit CGI script.	1557633.cif