Information card for entry 7211440

Structure parameters

• Formula: C21 H25 N2 O6.5
• Calculated formula: C21 H25 N2 O6.5
• SMILES: c1c2cccc3c2c(cc1)C(=O)N(C3=O)CC(=O)[O-].C12CC[NH+](CC1)CC2O.O.O
• Title of publication: Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence
• Authors of publication: d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 10470
• a: 9.2171 ± 0.0008 Å
• b: 13.7702 ± 0.001 Å
• c: 16.1954 ± 0.0014 Å
• α: 78.083 ± 0.007°
• β: 79.755 ± 0.007°
• γ: 81.159 ± 0.007°
• Cell volume: 1964.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3463
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No