Crystallography Open Database

Information card for entry 7716493

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Coordinates	7716493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H106 B3 N3
Calculated formula	C88 H106 B3 N3
Title of publication	Host-guest chemistry of tridentate Lewis acids based on tribenzotriquinacene.
Authors of publication	Franke, Maurice; Ens, Tobin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	28
Pages of publication	11970 - 11980
a	12.455 ± 0.0006 Å
b	11.6294 ± 0.0004 Å
c	25.6412 ± 0.0012 Å
α	90°
β	98.397 ± 0.004°
γ	90°
Cell volume	3674.2 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0918
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1677
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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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