Information card for entry 7212121

Structure parameters

• Formula: C27 H39 N9 O9
• Calculated formula: C27 H39 N9 O9
• SMILES: O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].Cc1[nH][nH+]c(C)c1Cc1c(C)c(Cc2c(C)[nH][nH+]c2C)c(C)c(Cc2c(C)[nH][nH+]c2C)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: 11.363 ± 0.005 Å
• b: 12.402 ± 0.005 Å
• c: 13.447 ± 0.009 Å
• α: 111.29 ± 0.014°
• β: 106.24 ± 0.014°
• γ: 101.63 ± 0.01°
• Cell volume: 1594.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No