Information card for entry 7152785

Structure parameters

• Formula: C37 H27 Br N2
• Calculated formula: C37 H27 Br N2
• SMILES: [Br-].n1(c[n+](c2ccccc12)Cc1ccc(cc1)C#Cc1ccccc1)Cc1ccc(cc1)C#Cc1ccccc1
• Title of publication: Benzimidazolium-based synthetic chloride and calcium transporters in bacterial membranes.
• Authors of publication: Elie, Claude-Rosny; Hébert, Audrey; Charbonneau, Mathieu; Haiun, Adam; Schmitzer, Andreea R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 923 - 928
• a: 9.5643 ± 0.0002 Å
• b: 9.7254 ± 0.0002 Å
• c: 17.4889 ± 0.0004 Å
• α: 89.925 ± 0.001°
• β: 80.209 ± 0.001°
• γ: 62.908 ± 0.001°
• Cell volume: 1421.79 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No