Crystallography Open Database

Information card for entry 7060492

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Coordinates	7060492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Se
Calculated formula	C27 H20 Se
Title of publication	Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons
Authors of publication	Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	16
Pages of publication	7247 - 7255
a	15.79929 ± 0.0001 Å
b	7.77564 ± 0.00004 Å
c	17.03739 ± 0.00011 Å
α	90°
β	108.329 ± 0.0007°
γ	90°
Cell volume	1986.85 ± 0.02 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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