Crystallography Open Database

Information card for entry 7058235

Preview

Coordinates	7058235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H20 F8 I2 N4 O2
Calculated formula	C42 H20 F8 I2 N4 O2
Title of publication	Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors
Authors of publication	Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	14
Pages of publication	5512
a	11.5438 ± 0.0005 Å
b	14.8242 ± 0.0007 Å
c	21.829 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3735.5 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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