Crystallography Open Database

Information card for entry 7243305

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Coordinates	7243305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 B F2 I N3
Calculated formula	C24 H21 B F2 I N3
Title of publication	Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding
Authors of publication	Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	36
Pages of publication	6365 - 6375
a	10.8154 ± 0.0006 Å
b	15.2133 ± 0.0009 Å
c	16.0136 ± 0.0008 Å
α	64.677 ± 0.003°
β	83.593 ± 0.003°
γ	75.477 ± 0.003°
Cell volume	2305.5 ± 0.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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