Information card for entry 1507131

Structure parameters

• Formula: C30 H26 N6
• Calculated formula: C30 H26 N6
• Title of publication: Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.
• Authors of publication: Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 989 - 992
• a: 9.2514 ± 0.0001 Å
• b: 7.3897 ± 0.0001 Å
• c: 17.753 ± 0.0003 Å
• α: 90°
• β: 100.55 ± 0.0005°
• γ: 90°
• Cell volume: 1193.17 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.1193
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No