Crystallography Open Database

Information card for entry 4131868

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Coordinates	4131868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 B F10 N
Calculated formula	C30 H32 B F10 N
Title of publication	Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.
Authors of publication	Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	10
Pages of publication	3635 - 3643
a	30.8901 ± 0.0008 Å
b	10.7574 ± 0.0003 Å
c	23.1166 ± 0.0009 Å
α	90°
β	129.511 ± 0.001°
γ	90°
Cell volume	5926.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0996
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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