Crystallography Open Database

Information card for entry 4132103

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Coordinates	4132103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H79 N5 O6
Calculated formula	C68 H79 N5 O6
Title of publication	Efficient Multicomponent Active Template Synthesis of Catenanes.
Authors of publication	Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	14
Pages of publication	4787 - 4791
a	43.3239 ± 0.0011 Å
b	25.6455 ± 0.0009 Å
c	10.7279 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11919.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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