Crystallography Open Database

Information card for entry 1572593

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Coordinates	1572593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl N
Calculated formula	C20 H18 Cl N
Title of publication	Metal-Free Site-Selective Functionalization with Cyclic Diaryl λ3-Chloranes: Suppression of Benzyne Formation for Ligand-Coupling Reactions
Authors of publication	Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin
Journal of publication	Chemical Science
Year of publication	2024
a	17.9856 ± 0.0009 Å
b	7.6368 ± 0.0003 Å
c	23.5135 ± 0.0013 Å
α	90°
β	92.914 ± 0.002°
γ	90°
Cell volume	3225.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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