Crystallography Open Database

Information card for entry 4021777

Preview

Coordinates	4021777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 N2 O11
Calculated formula	C56 H64 N2 O11
Title of publication	Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes
Authors of publication	Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	5093 - 5104
a	14.9969 ± 0.0002 Å
b	29.4294 ± 0.0004 Å
c	11.8503 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5230.1 ± 0.1 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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/4021777.html