Crystallography Open Database

Information card for entry 4135532

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Coordinates	4135532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 B F9 N
Calculated formula	C24 H23 B F8.997 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	23.0146 ± 0.0005 Å
b	14.3686 ± 0.0003 Å
c	16.876 ± 0.0004 Å
α	90°
β	104.441 ± 0.001°
γ	90°
Cell volume	5404.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2386
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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