Crystallography Open Database

Information card for entry 7134032

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Coordinates	7134032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 B3 N3
Calculated formula	C36 H48 B3 N3
Title of publication	Expression of hyperconjugative stereoelectronic interactions in borazines
Authors of publication	Wakchaure, Vivek Chandrakant; Dosso, Jacopo; Bonifazi, Davide; Crosta, Martina; Kählig, Hanspeter; Ward, Benjamin D.
Journal of publication	Chemical Communications
Year of publication	2024
a	11.8518 ± 0.0008 Å
b	12.9244 ± 0.001 Å
c	21.2118 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3249.2 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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