Information card for entry 7112307

Structure parameters

• Formula: C48 H66 Cl2 N14 O11
• Calculated formula: C48 H66 Cl2 N14 O11
• Title of publication: Synthesis and characterization of a luminescent and fully rigid tetrakisimidazolium macrocycle.
• Authors of publication: Zhou, Hongjun; Wang, Zhi; Gao, Chao; You, Jingsong; Gao, Ge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 1832 - 1834
• a: 14.9174 ± 0.0006 Å
• b: 22.8283 ± 0.0007 Å
• c: 16.932 ± 0.0006 Å
• α: 90°
• β: 113.615 ± 0.004°
• γ: 90°
• Cell volume: 5283.1 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108887
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No