Crystallography Open Database

Information card for entry 7206022

7206021 << 7206022 >> 7206023

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Coordinates	7206022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H66 O9
Calculated formula	C56 H66 O9
Title of publication	Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies
Authors of publication	Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	3979
a	17.4504 ± 0.0006 Å
b	17.4504 ± 0.0006 Å
c	27.9996 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	7384 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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