Information card for entry 7213279

Structure parameters

• Formula: C62.67 H100.33 Li3 O7.67
• Calculated formula: C62.68 H100.36 Li3 O7.67
• Title of publication: Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †
• Authors of publication: Dinger, Maarten B.; Scott, Michael J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1741
• a: 20.9835 ± 0.0014 Å
• b: 10.8817 ± 0.0007 Å
• c: 27.2374 ± 0.0017 Å
• α: 90°
• β: 98.486 ± 0.002°
• γ: 90°
• Cell volume: 6151.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2321
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No