Crystallography Open Database

Information card for entry 4113487

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Coordinates	4113487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 N4 O6
Calculated formula	C35 H41 N4 O6
SMILES	O=C1NCc2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(CNC(=O)c4cc1cc(OCC=C)c4)cc3)cc2.O
Title of publication	Mechanically Linked Polycarbonate
Authors of publication	Charles-André Fustin; Christian Bailly; Guy J. Clarkson; Philippe De Groote; Trent H. Galow; David A. Leigh; Duncan Robertson; Alexandra M. Z. Slawin; Jenny K. Y. Wong
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2200 - 2207
a	11.37 ± 0.01 Å
b	12.39 ± 0.01 Å
c	23.492 ± 0.007 Å
α	90°
β	93.7 ± 0.05°
γ	90°
Cell volume	3303 ± 4 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	2.988
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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