Crystallography Open Database

Information card for entry 7057695

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Coordinates	7057695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 O4
Calculated formula	C42 H50 O4
Title of publication	meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents
Authors of publication	Slavík, P.; Eigner, V.; Lhoták, P.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	20
Pages of publication	16646
a	21.9174 ± 0.0004 Å
b	18.1166 ± 0.0004 Å
c	18.3273 ± 0.0004 Å
α	90°
β	104.576 ± 0.0009°
γ	90°
Cell volume	7043 ± 0.3 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 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	0.0646
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for all reflections	0.1196
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	0.9176
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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