Crystallography Open Database

Information card for entry 4135537

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Coordinates	4135537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 B F9 N Rh
Calculated formula	C39 H30 B F9 N Rh
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	25.8026 ± 0.0013 Å
b	10.3993 ± 0.0005 Å
c	26.3164 ± 0.0013 Å
α	90°
β	110.6 ± 0.002°
γ	90°
Cell volume	6609.9 ± 0.6 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	6
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	0.0614
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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