Information card for entry 7211105

Structure parameters

• Formula: C20 H19 N9 O15
• Calculated formula: C20 H19 N9 O15
• SMILES: [nH+]1ccccc1c1cc(cc(n1)c1cccc[nH+]1)c1cc[nH+]cc1.N(=O)(=O)O.N(=O)(=O)[O-].N(=O)(=O)O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π±-π+ interactions
• Authors of publication: Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Das, Amrita; Singh, N. Jiten; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 7879
• a: 8.671 ± 0.006 Å
• b: 12.162 ± 0.008 Å
• c: 13.095 ± 0.008 Å
• α: 110.238 ± 0.012°
• β: 95.823 ± 0.013°
• γ: 93.793 ± 0.013°
• Cell volume: 1281.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No