Crystallography Open Database

Information card for entry 7132327

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Coordinates	7132327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H81 B Li N2 O3
Calculated formula	C55 H81 B Li N2 O3
Title of publication	Intramolecular C–N bond activation by a transient boryl anion
Authors of publication	Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie
Journal of publication	Chemical Communications
Year of publication	2023
a	11.7476 ± 0.0002 Å
b	17.0185 ± 0.0003 Å
c	26.4191 ± 0.0007 Å
α	90°
β	97.504 ± 0.002°
γ	90°
Cell volume	5236.64 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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