Information card for entry 4024054

Structure parameters

• Formula: C43 H34 N10 O14
• Calculated formula: C43 H34 N10 O14
• SMILES: [NH+]1=C(N[C@H]([C@@H]1c1ccccc1)c1ccccc1)CC1=[NH+][C@@H](c2ccccc2)[C@@H](N1)c1ccccc1.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups
• Authors of publication: Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5618 - 5624
• a: 13.068 ± 0.005 Å
• b: 12.86 ± 0.003 Å
• c: 13.187 ± 0.003 Å
• α: 90°
• β: 111.22 ± 0.03°
• γ: 90°
• Cell volume: 2065.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1305
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No