Crystallography Open Database

Information card for entry 7126062

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Coordinates	7126062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H122 Cl6 O16
Calculated formula	C154 H122 Cl6 O16
Title of publication	Upper-rim functionalization and supramolecular polymerization of a feet-to-feet-connected biscavitand.
Authors of publication	Shimoyama, Daisuke; Sekiya, Ryo; Haino, Takeharu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	26
Pages of publication	3733 - 3736
a	11.895 ± 0.006 Å
b	13.566 ± 0.006 Å
c	21.429 ± 0.01 Å
α	89.762 ± 0.005°
β	74.368 ± 0.005°
γ	73.348 ± 0.005°
Cell volume	3180 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.2483
Residual factor for significantly intense reflections	0.149
Weighted residual factors for significantly intense reflections	0.3844
Weighted residual factors for all reflections included in the refinement	0.4297
Goodness-of-fit parameter for all reflections included in the refinement	1.283
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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