Crystallography Open Database

Information card for entry 4113486

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Coordinates	4113486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H90 N8 O14.5
Calculated formula	C70.5 H90 N8 O14.5
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	12.7081 ± 0.0001 Å
b	16.9611 ± 0.0002 Å
c	17.2671 ± 0.0002 Å
α	84.876 ± 0.001°
β	68.53 ± 0.001°
γ	87.936 ± 0.001°
Cell volume	3449.69 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2733
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for all reflections	0.3197
Weighted residual factors for significantly intense reflections	0.2373
Goodness-of-fit parameter for all reflections	0.956
Goodness-of-fit parameter for significantly intense reflections	1.299
Diffraction radiation wavelength	0.6874 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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