Crystallography Open Database

Information card for entry 7061513

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Coordinates	7061513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 Cl N6 O3
Calculated formula	C31 H49 Cl N6 O3
Title of publication	Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking
Authors of publication	Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	22
Pages of publication	10628 - 10636
a	46.389 ± 0.0018 Å
b	9.2469 ± 0.0006 Å
c	15.7793 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6768.6 ± 0.6 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2003
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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