Information card for entry 7119261

Structure parameters

• Formula: C25 H15 F3 N4 O
• Calculated formula: C25 H15 F3 N4 O
• Title of publication: Accessing alternative reaction pathways of the intermolecular condensation between homo-propargyl alcohols and terminal alkynes through divergent gold catalysis.
• Authors of publication: Smith, Courtney A.; Motika, Stephen E.; Wojtas, Lukasz; Shi, Xiaodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 2315 - 2318
• a: 10.3921 ± 0.0003 Å
• b: 11.9914 ± 0.0003 Å
• c: 17.5331 ± 0.0004 Å
• α: 80.3565 ± 0.0012°
• β: 89.9964 ± 0.0014°
• γ: 76.6551 ± 0.0013°
• Cell volume: 2094.17 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No