Crystallography Open Database

Information card for entry 7718368

Preview

Coordinates	7718368.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-isocyanobiphenyl?boron tribromide
Formula	C13 H9 B Br3 N
Calculated formula	C13 H9 B Br3 N
Title of publication	C-C bond-forming reactions of 2-isocyanobiphenyl·BX<sub>3</sub> adducts: spontaneous construction of polycyclic heteroaromatics.
Authors of publication	Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
a	9.0581 ± 0.0004 Å
b	10.2611 ± 0.0005 Å
c	15.6575 ± 0.0007 Å
α	90°
β	96.2352 ± 0.0013°
γ	90°
Cell volume	1446.69 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298528 (current)	2025-03-20	cif/ Adding structures of 7718366, 7718367, 7718368, 7718369, 7718370, 7718371, 7718372 via cif-deposit CGI script.	7718368.cif