Information card for entry 4034548

Structure parameters

• Formula: C32 H46 N6
• Calculated formula: C32 H46 N6
• SMILES: n1c(/N=C(/NCCNC(=N\c2cc(cc(n2)C)C)/C(C)(C)C)C(C)(C)C)cc(cc1C)C.c1ccccc1
• Title of publication: Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.
• Authors of publication: O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 14217 - 14226
• a: 11.0095 ± 0.0006 Å
• b: 23.1808 ± 0.0013 Å
• c: 13.2505 ± 0.0007 Å
• α: 90°
• β: 114.06 ± 0.003°
• γ: 90°
• Cell volume: 3087.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No