Crystallography Open Database

Information card for entry 7115536

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Coordinates	7115536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161 H182 Cl2 O16
Calculated formula	C161 H182 Cl2 O16
Title of publication	Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes
Authors of publication	Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	10112
a	13.22632 ± 0.0001 Å
b	25.83704 ± 0.00017 Å
c	20.88126 ± 0.00015 Å
α	90°
β	99.786 ± 0.0007°
γ	90°
Cell volume	7031.9 ± 0.09 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	4
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	0.0802
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for all reflections	0.1379
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.0443
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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