Crystallography Open Database

Information card for entry 7712762

Preview

Coordinates	7712762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H60 Al N3
Calculated formula	C37 H60 Al N3
SMILES	[AlH](=C1N(C)C(=C(N1C)C)C)(C1(C(=C(C(=C1C)C)C)C)C)C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(C)C)(C)C
Title of publication	Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction
Authors of publication	Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.0695 ± 0.0001 Å
b	14.4129 ± 0.0002 Å
c	22.1211 ± 0.0002 Å
α	90°
β	97.879 ± 0.001°
γ	90°
Cell volume	3495.96 ± 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	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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