Crystallography Open Database

Information card for entry 7715776

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Coordinates	7715776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 B2 N2
Calculated formula	C44 H34 B2 N2
Title of publication	Bidentate Boron Lewis Acids: Synthesis by Tin Boron Exchange Reaction and Host-Guest Complex Formation
Authors of publication	Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg; Lamm, Jan-Hendrik; Mitzel, Norbert Werner
Journal of publication	Dalton Transactions
Year of publication	2024
a	11.17085 ± 0.00016 Å
b	18.4947 ± 0.0002 Å
c	16.5929 ± 0.0002 Å
α	90°
β	101.455 ± 0.0014°
γ	90°
Cell volume	3359.84 ± 0.07 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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