Crystallography Open Database

Information card for entry 4114838

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Coordinates	4114838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H98 O10
Calculated formula	C82.5 H50 O9.667
Title of publication	Solvent Triggering between Conformational States in Amphiphilic Shape-Persistent Macrocycles
Authors of publication	Sigurd Höger; Donald L. Morrison; Volker Enkelmann
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6734 - 6736
a	17.6104 ± 0.001 Å
b	9.2651 ± 0.0005 Å
c	22.0135 ± 0.001 Å
α	88.493 ± 0.002°
β	92.791 ± 0.002°
γ	82.969 ± 0.002°
Cell volume	3558.6 ± 0.3 Å³
Cell temperature	165 K
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 significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	0.872
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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