Crystallography Open Database

Information card for entry 1559826

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Coordinates	1559826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H100 Ag2 B2 N8
Calculated formula	C104 H100 Ag2 B2 N8
Title of publication	Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Authors of publication	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	6
Pages of publication	2165 - 2171
a	8.9095 ± 0.0004 Å
b	41.3302 ± 0.0017 Å
c	26.6661 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9819.3 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.02 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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