Crystallography Open Database

Information card for entry 1551486

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Coordinates	1551486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 F4 I2 N6 O4
Calculated formula	C30 H32 F4 I2 N6 O4
Title of publication	Halogen-bonding-triggered supramolecular gel formation
Authors of publication	Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed
Journal of publication	Nature Chemistry
Year of publication	2013
Journal volume	5
Pages of publication	42 - 47
a	6.3339 ± 0.001 Å
b	15.5864 ± 0.0014 Å
c	17.6362 ± 0.0017 Å
α	88.14 ± 0.008°
β	83.243 ± 0.011°
γ	78.306 ± 0.01°
Cell volume	1693 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.1319
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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