Information card for entry 7209115

Structure parameters

• Formula: C20 H19 N7 O10
• Calculated formula: C20 H19 N7 O10
• SMILES: [nH+]1ccccc1c1cc(cc(n1)c1cccc[nH+]1)c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions
• Authors of publication: Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1285
• a: 7.1843 ± 0.0007 Å
• b: 11.8503 ± 0.0012 Å
• c: 13.9092 ± 0.0014 Å
• α: 114.553 ± 0.003°
• β: 95.716 ± 0.001°
• γ: 91.176 ± 0.002°
• Cell volume: 1069.23 ± 0.19 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: 0.0354
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No