Crystallography Open Database

Information card for entry 4109713

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Coordinates	4109713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 F6 N O8 P
Calculated formula	C32 H47 F6 N O8 P
Title of publication	Bifunctional [c2]Daisy-Chains and Their Incorporation into Mechanically Interlocked Polymers
Authors of publication	Erin N. Guidry; Jean Li; J. Fraser Stoddart; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8944 - 8945
a	14.0429 ± 0.0005 Å
b	18.2532 ± 0.0006 Å
c	29.4389 ± 0.0009 Å
α	88.593 ± 0.001°
β	79.918 ± 0.001°
γ	72.778 ± 0.001°
Cell volume	7093.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.181
Residual factor for significantly intense reflections	0.1327
Weighted residual factors for significantly intense reflections	0.3472
Weighted residual factors for all reflections included in the refinement	0.376
Goodness-of-fit parameter for all reflections included in the refinement	2.495
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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