Crystallography Open Database

Information card for entry 7057694

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Coordinates	7057694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H52 O4
Calculated formula	C47 H52 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	11.9163 ± 0.0003 Å
b	12.3039 ± 0.0003 Å
c	13.9877 ± 0.0003 Å
α	94.268 ± 0.0007°
β	103.037 ± 0.0006°
γ	100.698 ± 0.0006°
Cell volume	1948.71 ± 0.08 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for all reflections	0.0886
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	0.9999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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