Information card for entry 1573687

Structure parameters

• Formula: C186 H270 N6 O25.5 Rb3
• Calculated formula: C156 H210 N6 O18 Rb3
• Title of publication: Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
• Authors of publication: Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 3211 - 3217
• a: 14.192 ± 0.002 Å
• b: 23.883 ± 0.004 Å
• c: 28.136 ± 0.005 Å
• α: 88.137 ± 0.002°
• β: 80.21 ± 0.003°
• γ: 77.124 ± 0.002°
• Cell volume: 9161 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2525
• Weighted residual factors for all reflections included in the refinement: 0.3132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41329 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No