Crystallography Open Database

Information card for entry 7151831

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Structure parameters

Formula	C27 H17 Cl2 N Se2
Calculated formula	C27 H17 Cl2 N Se2
SMILES	[Se](c1nc2ccccc2c([Se]c2ccc(Cl)cc2)c1c1ccccc1)c1ccc(Cl)cc1
Title of publication	Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.
Authors of publication	Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	10
Pages of publication	3768 - 3775
a	6.0736 ± 0.0003 Å
b	11.6934 ± 0.0005 Å
c	17.749 ± 0.0009 Å
α	74.4693 ± 0.0012°
β	86.7204 ± 0.0013°
γ	73.3481 ± 0.0013°
Cell volume	1163.33 ± 0.1 Å³
Cell temperature	103.1 K
Ambient diffraction temperature	103.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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