Information card for entry 4034546

Structure parameters

• Formula: C24 H36 N6
• Calculated formula: C24 H36 N6
• SMILES: n1c(cccc1/N=C(NCCNC(=N\c1nc(ccc1)C)/C(C)(C)C)/C(C)(C)C)C
• 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: 9.3851 ± 0.0019 Å
• b: 10.325 ± 0.002 Å
• c: 13.344 ± 0.003 Å
• α: 89.257 ± 0.002°
• β: 74.918 ± 0.002°
• γ: 67.207 ± 0.002°
• Cell volume: 1145.4 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0473
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No