Information card for entry 4077235

Structure parameters

• Formula: C57.75 H63.75 B N
• Calculated formula: C57.75 H62 B N
• Title of publication: Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt
• Authors of publication: Wehmschulte, Rudolf J.; Khan, Masood A.; Twamley, Brendan; Schiemenz, Berthold
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 844
• a: 15.9622 ± 0.0019 Å
• b: 17.283 ± 0.002 Å
• c: 17.758 ± 0.002 Å
• α: 88.829 ± 0.01°
• β: 78.656 ± 0.009°
• γ: 87.525 ± 0.01°
• Cell volume: 4798.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No