Crystallography Open Database

Information card for entry 7133950

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Coordinates	7133950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C258 H123 I8 N22 O
Calculated formula	C258 H123 I8 N22 O
Title of publication	Helical aromatic foldamers with tubular cavities capable of accommodating multiple halide ions
Authors of publication	Lee, Seungwon; Lee, Byeung Ju; Song, Geunmoo; Jeong, Kyu-Sung
Journal of publication	Chemical Communications
Year of publication	2024
a	25.2 ± 0.005 Å
b	25.207 ± 0.005 Å
c	29.256 ± 0.006 Å
α	104.05 ± 0.03°
β	103.3 ± 0.03°
γ	116.8 ± 0.03°
Cell volume	14803 ± 9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3728
Residual factor for significantly intense reflections	0.1292
Weighted residual factors for significantly intense reflections	0.3323
Weighted residual factors for all reflections included in the refinement	0.4456
Goodness-of-fit parameter for all reflections included in the refinement	0.694
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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