Crystallography Open Database

Information card for entry 7248914

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Coordinates	7248914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H58 F2 O10
Calculated formula	C49 H58 F2 O10
Title of publication	Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers
Authors of publication	Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	29
Pages of publication	20553 - 20560
a	15.0762 ± 0.0013 Å
b	15.0762 ± 0.0013 Å
c	39.5384 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8986.8 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2264
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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