Crystallography Open Database

Information card for entry 7239703

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Coordinates	7239703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 F2 I N
Calculated formula	C21 H19 F2 I N
Title of publication	Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals
Authors of publication	Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	416 - 419
a	17.6232 ± 0.0019 Å
b	5.4878 ± 0.0006 Å
c	20.948 ± 0.002 Å
α	90°
β	108.417 ± 0.007°
γ	90°
Cell volume	1922.2 ± 0.4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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