Crystallography Open Database

Information card for entry 4109487

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Coordinates	4109487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H169 N43 O126 Pd6
Calculated formula	C138.24 H169.44 N43 O126 Pd6
Title of publication	Unusual [2+4] and [2+2] Cycloadditions of Arenes in the Confined Cavity of Self-Assembled Cages
Authors of publication	Yuki Nishioka; Takumi Yamaguchi; Michito Yoshizawa; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7000 - 7001
a	26.283 ± 0.012 Å
b	26.283 ± 0.012 Å
c	32.15 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	22209 ± 3 Å³
Cell temperature	82 ± 2 K
Ambient diffraction temperature	82 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2162
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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