Information card for entry 7212120

Structure parameters

• Formula: C22 H21 N7 O9
• Calculated formula: C22 H21 N7 O9
• 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: 10.636 ± 0.0018 Å
• b: 18.174 ± 0.003 Å
• c: 12.645 ± 0.002 Å
• α: 90°
• β: 104.343 ± 0.002°
• γ: 90°
• Cell volume: 2368.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No