Crystallography Open Database

Information card for entry 4302632

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Structure parameters

Common name	08229a
Formula	C24 H28 Cu F6 N3 O
Calculated formula	C24 H28 Cu F6 N3 O
SMILES	[Cu]1(N(C(=CC(=[N]1c1c(cccc1C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C)C)[O]=N(C)(C)C
Title of publication	Intermediates in Reactions of Copper(I) Complexes with N-Oxides: From the Formation of Stable Adducts to Oxo Transfer
Authors of publication	Sungjun Hong; Aalo K. Gupta; William B. Tolman
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6323 - 6325
a	12.2913 ± 0.0016 Å
b	13.9744 ± 0.0018 Å
c	15.579 ± 0.002 Å
α	90°
β	107.408 ± 0.002°
γ	90°
Cell volume	2553.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4302632.cif
179064	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/26.	4302632.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302632.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302632.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302632.cif