Information card for entry 7111929

Structure parameters

• Chemical name: bisdibenzo[1,10-6,7]fluorantheno[2,3-b:2'3'-n] tetraphenylene-bis-((18-crown-6)-rubidium) tetrahydrofuran solvate
• Formula: C98 H104 O15.5 Rb2
• Calculated formula: C92 H92 O14 Rb2
• Title of publication: An unsolvated buckycatcher and its first dianion
• Authors of publication: Alexander V. Zabula; Yulia V. Sevryugina; Sarah N. Spisak; Lesya Kobryn; Renata Sygula; Andrzej Sygula; Marina A. Petrukhina
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2657
• a: 9.3921 ± 0.0002 Å
• b: 16.1731 ± 0.0003 Å
• c: 28.6015 ± 0.0005 Å
• α: 80.358 ± 0.001°
• β: 89.767 ± 0.001°
• γ: 80.008 ± 0.001°
• Cell volume: 4216.81 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No