Crystallography Open Database

Information card for entry 7057693

Preview

Coordinates	7057693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 O5
Calculated formula	C45.0015 H58.0035 O5
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	20.9267 ± 0.0005 Å
b	14.4964 ± 0.0003 Å
c	26.1402 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7929.9 ± 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	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for all reflections	0.1907
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	0.9973
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7057693.html