Crystallography Open Database

Information card for entry 4130117

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Coordinates	4130117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H35 Cl2 I3
Calculated formula	C34 H35 Cl2 I3
Title of publication	Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.
Authors of publication	Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	7
Pages of publication	2182 - 2185
a	10.9584 ± 0.0005 Å
b	11.099 ± 0.0005 Å
c	15.2278 ± 0.0007 Å
α	75.3898 ± 0.0016°
β	76.1879 ± 0.0016°
γ	70.6752 ± 0.0015°
Cell volume	1666.62 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0198
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.0402
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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