Crystallography Open Database

Information card for entry 2006633

2006632 << 2006633 >> 2006634

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Coordinates	2006633.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene
Formula	C22 H28
Calculated formula	C22 H28
SMILES	CC(/C(=C(/C(C)(C)C)c1ccccc1)c1ccccc1)(C)C
Title of publication	(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~
Authors of publication	Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	11
Pages of publication	1723 - 1725
a	6.291 ± 0.002 Å
b	8.259 ± 0.002 Å
c	18.054 ± 0.003 Å
α	96.53 ± 0.01°
β	91.39 ± 0.02°
γ	112.06 ± 0.02°
Cell volume	861.4 ± 0.4 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 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	0.068
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.066
Goodness-of-fit parameter for significantly intense reflections	2.5
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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