Crystallography Open Database

Information card for entry 7132331

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Coordinates	7132331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 N2 O
Calculated formula	C44 H60 N2 O
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	70.8297 ± 0.001 Å
b	10.40514 ± 0.00014 Å
c	44.9198 ± 0.0006 Å
α	90°
β	105.457 ± 0.0014°
γ	90°
Cell volume	31908.1 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0983
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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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