Information card for entry 7105851

Structure parameters

• Formula: C14 H14 N2
• Calculated formula: C14 H14 N2
• SMILES: N(=C(\N)c1ccccc1)\c1ccc(cc1)C
• Title of publication: Application of the copper catalysed N-arylation of amidines in the synthesis of analogues of the chemical tool, Blebbistatin
• Authors of publication: Christopher Lawson; Alexandra Slawin; Nicholas Westwood
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1057
• a: 9.82 ± 0.002 Å
• b: 10.097 ± 0.003 Å
• c: 12.209 ± 0.004 Å
• α: 84.126 ± 0.018°
• β: 81.77 ± 0.02°
• γ: 80.108 ± 0.017°
• Cell volume: 1176.5 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No