Information card for entry 7125307

Structure parameters

• Formula: C32 H21 N O
• Calculated formula: C32 H21 N O
• Title of publication: Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.
• Authors of publication: Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 98
• Pages of publication: 14121 - 14124
• a: 7.6244 ± 0.0004 Å
• b: 7.9489 ± 0.0004 Å
• c: 18.4283 ± 0.0009 Å
• α: 90°
• β: 93.193 ± 0.002°
• γ: 90°
• Cell volume: 1115.12 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54175 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No