Crystallography Open Database

Information card for entry 7135946

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Coordinates	7135946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H80 N8 O12 Si8
Calculated formula	C36 H80 N8 O12 Si8
Title of publication	Structure-encoded anion inclusion in siloxane-based hybrid cages derived from stereoregular cyclic tetrasiloxanes
Authors of publication	Seino, Yuya; Tonai, Norimitsu; Kaneko, Yoshiro
Journal of publication	Chemical Communications
Year of publication	2026
a	9.4821 ± 0.0005 Å
b	9.8279 ± 0.0006 Å
c	15.9646 ± 0.0006 Å
α	97.558 ± 0.004°
β	101.377 ± 0.004°
γ	110.287 ± 0.005°
Cell volume	1335.29 ± 0.13 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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