Crystallography Open Database

Information card for entry 7133951

Preview

Coordinates	7133951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H111.75 I6 N16 O0.75
Calculated formula	C186 H111.75 I6 N16 O0.75
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 (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	95
Pages of publication	14081 - 14084
a	38.554 ± 0.008 Å
b	51.49 ± 0.01 Å
c	43.138 ± 0.009 Å
α	90°
β	93.47 ± 0.03°
γ	90°
Cell volume	85478 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.3423
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2367
Weighted residual factors for all reflections included in the refinement	0.3213
Goodness-of-fit parameter for all reflections included in the refinement	0.693
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133951.html