Crystallography Open Database

Information card for entry 1549343

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Structure parameters

Chemical name	1,2-Bis(3,5-dimethylphenyl)ethane
Formula	C18 H22
Calculated formula	C18 H22
SMILES	c1(cc(cc(c1)CCc1cc(cc(c1)C)C)C)C
Title of publication	1,2-Bis(3,5-dimethylphenyl)ethane
Authors of publication	Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	4
Pages of publication	x180636
a	7.9315 ± 0.0005 Å
b	8.2047 ± 0.0005 Å
c	12.3474 ± 0.0008 Å
α	108.513 ± 0.006°
β	98.09 ± 0.005°
γ	103.805 ± 0.005°
Cell volume	719.18 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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