Crystallography Open Database

Information card for entry 7003976

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Structure parameters

Formula	C24 H34 Li N O2
Calculated formula	C24 H34 Li N O2
SMILES	[Li]1(N(c2c(cccc2)C2=CC=CC=[CH]21)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
Title of publication	Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?
Authors of publication	Dureen, Meghan A.; Stephan, Douglas W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	35
Pages of publication	4723 - 4731
a	9.1057 ± 0.0019 Å
b	12.335 ± 0.003 Å
c	10.325 ± 0.002 Å
α	90°
β	107.574 ± 0.003°
γ	90°
Cell volume	1105.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7003976.cif
179743	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/39.	7003976.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003976.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003976.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003976.cif