Information card for entry 7239487

Structure parameters

• Formula: C26 H28 Br Cl2 N7 O6
• Calculated formula: C26 H28 Br Cl2 N7 O6
• Title of publication: Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding
• Authors of publication: Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 18
• Pages of publication: 9339
• a: 17.077 ± 0.003 Å
• b: 17.927 ± 0.004 Å
• c: 19.393 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5937 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1808
• Residual factor for significantly intense reflections: 0.1483
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No