Crystallography Open Database

Information card for entry 4116057

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Coordinates	4116057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H134 Cl2 N10 O14 Zn
Calculated formula	C97 H115 Cl2 N10 O15.5 Zn
Title of publication	Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules
Authors of publication	Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	6183 - 6189
a	14.5244 ± 0.0004 Å
b	15.819 ± 0.0005 Å
c	23.3483 ± 0.0006 Å
α	90.34 ± 0.001°
β	104.163 ± 0.001°
γ	108.724 ± 0.001°
Cell volume	4905.3 ± 0.2 Å³
Cell temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.092
Goodness-of-fit parameter for significantly intense reflections	2.408
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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