Crystallography Open Database

Information card for entry 4135526

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Coordinates	4135526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 B F9 N
Calculated formula	C34 H25 B F9 N
Title of publication	Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application
Authors of publication	Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
a	17.0933 ± 0.0003 Å
b	9.8292 ± 0.0002 Å
c	17.4543 ± 0.0003 Å
α	90°
β	95.43 ± 0.001°
γ	90°
Cell volume	2919.4 ± 0.09 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	0.0438
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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