Crystallography Open Database

Information card for entry 7153048

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Coordinates	7153048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H94 O8
Calculated formula	C80 H94 O8
Title of publication	Meta-arylation of calixarenes using organomercurial chemistry.
Authors of publication	Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	33
Pages of publication	5528 - 5534
a	13.4473 ± 0.0002 Å
b	30.0322 ± 0.0005 Å
c	16.7673 ± 0.0003 Å
α	90°
β	92.7714 ± 0.0014°
γ	90°
Cell volume	6763.59 ± 0.19 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for all reflections	0.1007
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	0.9574
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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