Information card for entry 7160033

Structure parameters

• Formula: C19 H12 Cl I N2
• Calculated formula: C19 H12 Cl I N2
• Title of publication: Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.
• Authors of publication: Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 6966 - 6980
• a: 8.66885 ± 0.00004 Å
• b: 10.22838 ± 0.00006 Å
• c: 18.76755 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1664.09 ± 0.015 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0174
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No