Crystallography Open Database

Information card for entry 7243304

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Coordinates	7243304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 B F2 I2 N3
Calculated formula	C18 H16 B F2 I2 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	16.724 ± 0.002 Å
b	15.302 ± 0.002 Å
c	7.6345 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1953.7 ± 0.4 Å³
Cell temperature	119.91 K
Ambient diffraction temperature	119.91 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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