Crystallography Open Database

Information card for entry 2003345

2003344 << 2003345 >> 2003346

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Coordinates	2003345.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H20 S
Calculated formula	C24 H20 S
SMILES	Cc1ccc(cc1)c1sc(cc1Cc1ccccc1)c1ccccc1
Title of publication	3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene
Authors of publication	Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	4
Pages of publication	657 - 659
a	5.9314 ± 0.0008 Å
b	18.92 ± 0.003 Å
c	15.866 ± 0.002 Å
α	90°
β	91.474 ± 0.012°
γ	90°
Cell volume	1779.9 ± 0.4 Å³
Cell temperature	168 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.055
Goodness-of-fit parameter for significantly intense reflections	2.23
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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