Information card for entry 4074217

Structure parameters

• Formula: C16 H22 B2 N2 V
• Calculated formula: C16 H22 B2 N2 V
• SMILES: [V]123456789%10%11[CH]%12=[CH]1[CH]3=[CH]4[CH]6=[CH]%10C7%12B(N(C)C)B(N(C)C)[c]12[cH]9[cH]8[cH]5[cH]%111
• Title of publication: Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]
• Authors of publication: Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4433
• a: 10.7505 ± 0.0017 Å
• b: 11.7485 ± 0.0019 Å
• c: 12.266 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1549.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No