Information card for entry 7105852

Structure parameters

• Formula: C21 H20 N2
• Calculated formula: C21 H20 N2
• SMILES: N(/C(=N/c1ccc(cc1)C)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: 11.356 ± 0.002 Å
• b: 16.525 ± 0.004 Å
• c: 18.416 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3455.9 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No