Information card for entry 7112822

Structure parameters

• Formula: C33 H43 Au B Cl2 F4 N3
• Calculated formula: C33 H43 Au B Cl2 F4 N3
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Ligand influence in the selective gold-mediated synthesis of allenes.
• Authors of publication: Nun, Pierrick; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 48
• Pages of publication: 9113 - 9115
• a: 9.473 ± 0.002 Å
• b: 17.138 ± 0.004 Å
• c: 11.355 ± 0.003 Å
• α: 90°
• β: 106.525 ± 0.007°
• γ: 90°
• Cell volume: 1767.3 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No