Information card for entry 1507240

Structure parameters

• Common name: 3b
• Chemical name: 1,1'-bis(1-butylbenzimidazol-2-yl) pentane
• Formula: C27 H36 N4
• Calculated formula: C27 H36 N4
• SMILES: n1(c2c(nc1C(c1n(c3c(n1)cccc3)CCCC)CCCC)cccc2)CCCC
• Title of publication: Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts
• Authors of publication: Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.
• Journal of publication: Macromolecules
• Year of publication: 2003
• Journal volume: 36
• Journal issue: 23
• Pages of publication: 8584
• a: 10.2808 ± 0.0005 Å
• b: 19.4888 ± 0.001 Å
• c: 13.1128 ± 0.0006 Å
• α: 90°
• β: 100.391 ± 0.004°
• γ: 90°
• Cell volume: 2584.2 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No