Crystallography Open Database

Information card for entry 7131725

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Coordinates	7131725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C264 H280 N24 O48
Calculated formula	C264 H280 N24 O48
Title of publication	Cage-like structures based on constrained cyclic arylopeptoids.
Authors of publication	Akhdar, Ayman; Nauton, Lionel; Jouffret, Laurent; Faure, Sophie; Gautier, Arnaud
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	52
Pages of publication	8087 - 8090
a	28.49 ± 0.008 Å
b	7.868 ± 0.002 Å
c	27.678 ± 0.007 Å
α	90°
β	90.235 ± 0.007°
γ	90°
Cell volume	6204 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2249
Residual factor for significantly intense reflections	0.1313
Weighted residual factors for significantly intense reflections	0.3281
Weighted residual factors for all reflections included in the refinement	0.3843
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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