Crystallography Open Database

Information card for entry 4023852

Preview

Coordinates	4023852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H69 N12 O22
Calculated formula	C48 H69 N12 O22
SMILES	O=N1=C([N](=O)C(C1(C)C)(C)C)c1n(cc[n+]1CC)C.O=N1=C([N](=O)C(C1(C)C)(C)C)c1n(cc[n+]1CC)C.O=N1=C([N](=O)C(C1(C)C)(C)C)c1n(cc[n+]1CC)C.[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O
Title of publication	Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts
Authors of publication	Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	8683 - 8693
a	16.875 ± 0.005 Å
b	20.251 ± 0.005 Å
c	20.322 ± 0.005 Å
α	59.287 ± 0.005°
β	85.537 ± 0.005°
γ	79.624 ± 0.005°
Cell volume	5872 ± 3 Å³
Cell temperature	133.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.2314
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4023852.html