Crystallography Open Database

Information card for entry 7151665

Preview

Coordinates	7151665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H107 N17 O24
Calculated formula	C102 H107 N17 O24
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	12.0137 ± 0.0003 Å
b	20.275 ± 0.0004 Å
c	22.8339 ± 0.0004 Å
α	115.072 ± 0.001°
β	96.578 ± 0.001°
γ	99.681 ± 0.002°
Cell volume	4857.3 ± 0.19 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	0.0951
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.23
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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