Crystallography Open Database

Information card for entry 1504034

Preview

Coordinates	1504034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 O12
Calculated formula	C18 H26 O6
Title of publication	Taco complex templated syntheses of a cryptand/paraquat [2]rotaxane and a [2]catenane by olefin metathesis.
Authors of publication	Li, Shijun; Liu, Ming; Zheng, Bo; Zhu, Kelong; Wang, Feng; Li, Ning; Zhao, Xiao-Li; Huang, Feihe
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	15
Pages of publication	3350 - 3353
a	7.0217 ± 0.0002 Å
b	11.5023 ± 0.0004 Å
c	12.3086 ± 0.0004 Å
α	113.451 ± 0.001°
β	94.599 ± 0.001°
γ	97.882 ± 0.001°
Cell volume	893.4 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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