Crystallography Open Database

Information card for entry 4132497

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Coordinates	4132497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H201.88 Cl6 N33 O30.5 Zn3
Calculated formula	C174 H201 Cl6 N33 O30.5 Zn3
Title of publication	Synthetic β-Barrel by Metal-Induced Folding and Assembly.
Authors of publication	Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8644 - 8647
a	28.3964 ± 0.0003 Å
b	28.3964 ± 0.0003 Å
c	84.3978 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	68054.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.3474
Residual factor for significantly intense reflections	0.2744
Weighted residual factors for significantly intense reflections	0.5541
Weighted residual factors for all reflections included in the refinement	0.5938
Goodness-of-fit parameter for all reflections included in the refinement	1.951
Diffraction radiation wavelength	1 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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