Crystallography Open Database

Information card for entry 1550880

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Structure parameters

Chemical name	1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
Formula	C21 H25 Cl N2 O4
Calculated formula	C21 H25 Cl N2 O4
SMILES	n1(c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Cl(=O)(=O)(=O)[O-]
Title of publication	1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
Authors of publication	Wang, Ruiyao; Aquino, Manuel A.S.
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	4
Pages of publication	x190494
a	8.4771 ± 0.0002 Å
b	16.0726 ± 0.0004 Å
c	15.7922 ± 0.0003 Å
α	90°
β	103.958 ± 0.001°
γ	90°
Cell volume	2088.14 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
214631 (current)	2019-04-13	cif/ hkl/ Adding structures of 1550880 via cif-deposit CGI script.	1550880.cif 1550880.hkl