Crystallography Open Database

Information card for entry 7248912

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Coordinates	7248912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H66 Br4 O10
Calculated formula	C53 H66 Br4 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	10.3567 ± 0.0008 Å
b	12.1184 ± 0.0009 Å
c	22.4299 ± 0.0015 Å
α	91.283 ± 0.006°
β	95.977 ± 0.007°
γ	110.754 ± 0.008°
Cell volume	2612.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1513
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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