Crystallography Open Database

Information card for entry 7151666

Preview

Coordinates	7151666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H163 N16 O25.5
Calculated formula	C132 H160 N16 O25.5
Title of publication	Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.
Authors of publication	Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	3
Pages of publication	906 - 914
a	12.6739 ± 0.0005 Å
b	20.5874 ± 0.0007 Å
c	25.8506 ± 0.0009 Å
α	77.841 ± 0.003°
β	77.976 ± 0.002°
γ	74.025 ± 0.002°
Cell volume	6257.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2509
Residual factor for significantly intense reflections	0.1458
Weighted residual factors for significantly intense reflections	0.3528
Weighted residual factors for all reflections included in the refinement	0.4282
Goodness-of-fit parameter for all reflections included in the refinement	1.283
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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