Information card for entry 7212123

Structure parameters

• Formula: C27 H44 Cl3 N6 O2.5
• Calculated formula: C27 H43 Cl3 N6 O2.5
• SMILES: O.O.O.[Cl-].[Cl-].[Cl-].Cc1c(Cc2c(C)[nH][nH+]c2C)c(C)c(Cc2c(C)[nH][nH+]c2C)c(C)c1Cc1c(C)[nH][nH+]c1C
• Title of publication: Nitrate directed organized assemblies of protonated arene based tripodal receptors
• Authors of publication: Arunachalam, M.; Ghosh, Pradyut
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1621
• a: 26.309 ± 0.004 Å
• b: 9.8633 ± 0.0014 Å
• c: 25.97 ± 0.003 Å
• α: 90°
• β: 112.137 ± 0.002°
• γ: 90°
• Cell volume: 6242.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No