Information card for entry 4515913

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: 22.2703 ± 0.0006 Å
• b: 15.8902 ± 0.0005 Å
• c: 15.2838 ± 0.0005 Å
• α: 90°
• β: 93.297 ± 0.003°
• γ: 90°
• Cell volume: 5399.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.1974
• 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: No
• Has Fobs: No