Information card for entry 7123300

Structure parameters

• Formula: C57.4 H45.6 N9.2 O12
• Calculated formula: C56.482 H44.223 N8.741 O12
• Title of publication: Stackable Molecular Chairs
• Authors of publication: Badjic, Jovica D.; Xie, Han; Zhiquan, Lei; Pavlovic, Radoslav Z.; Gallucci, Judith C.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.3179 ± 0.0006 Å
• b: 17.1721 ± 0.0013 Å
• c: 19.0317 ± 0.0014 Å
• α: 93.773 ± 0.003°
• β: 91.789 ± 0.003°
• γ: 96.639 ± 0.003°
• Cell volume: 2692.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.3032
• Weighted residual factors for all reflections included in the refinement: 0.3048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No