Information card for entry 2202962

Structure parameters

• Chemical name: (S,S)-1,2-bis(1-hydrobenzimidazol-2-yl)-1,2-ethanediol
• Formula: C20 H22 N4 O2
• Calculated formula: C20 H22 N4 O2
• SMILES: CO[C@@H]([C@@H](c1nc2c(n1C)cccc2)OC)c1nc2c(n1C)cccc2
• Title of publication: (<i>S,S</i>)-1,2-Bis(1-methylbenzimidazol-2-yl)-1',2'-bis(methoxy)ethane
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1448 - o1450
• a: 6.798 ± 0.0006 Å
• b: 10.9084 ± 0.0009 Å
• c: 25.331 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878.4 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1201
• 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: Yes