Crystallography Open Database

Information card for entry 4113488

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Coordinates	4113488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H97 N8 O13.5
Calculated formula	C73 H88 N8 O13.5
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	16.3629 ± 0.0006 Å
b	25.1227 ± 0.0009 Å
c	16.8767 ± 0.0006 Å
α	90°
β	91.036 ± 0.002°
γ	90°
Cell volume	6936.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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 all reflections	0.1205
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2553
Weighted residual factors for all reflections included in the refinement	0.2695
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.6893 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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