Information card for entry 1507239

Structure parameters

• Common name: 2
• Chemical name: 1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane
• Formula: C19 H20 N4 O
• Calculated formula: C19 H20 N4 O
• SMILES: O(C(c1n(c2c(n1)cccc2)C)(c1n(c2c(n1)cccc2)C)C)C
• 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: 9.65 ± 0.0019 Å
• b: 12.945 ± 0.003 Å
• c: 13.57 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1695.2 ± 0.6 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.095
• 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