Crystallography Open Database

Information card for entry 4113489

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Coordinates	4113489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H100 N8 O11
Calculated formula	C78 H98 N8 O11
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	16.0178 ± 0.0003 Å
b	23.195 ± 0.0006 Å
c	23.2949 ± 0.0005 Å
α	71.331 ± 0.001°
β	83.937 ± 0.001°
γ	79.565 ± 0.001°
Cell volume	8053.3 ± 0.3 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	0.3135
Residual factor for significantly intense reflections	0.168
Weighted residual factors for all reflections	0.5043
Weighted residual factors for significantly intense reflections	0.4019
Goodness-of-fit parameter for all reflections	0.933
Goodness-of-fit parameter for significantly intense reflections	1.588
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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