Crystallography Open Database

Information card for entry 4515914

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Coordinates	4515914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 N2 O9
Calculated formula	C54 H88 N2 O9
Title of publication	Asymmetric Choreography in Pairs of Orthogonal Rotors.
Authors of publication	Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	1
Pages of publication	1293 - 1297
a	22.3412 ± 0.0005 Å
b	15.9121 ± 0.0003 Å
c	15.4268 ± 0.0004 Å
α	90°
β	93.24 ± 0.002°
γ	90°
Cell volume	5475.4 ± 0.2 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1954
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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