Crystallography Open Database

Information card for entry 7060491

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Coordinates	7060491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 Se
Calculated formula	C36 H22 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	9.3198 ± 0.0001 Å
b	11.5015 ± 0.0002 Å
c	11.9566 ± 0.0002 Å
α	73.366 ± 0.001°
β	82.145 ± 0.001°
γ	80.121 ± 0.001°
Cell volume	1204.59 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.0395
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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