Information card for entry 7211441

Structure parameters

• Formula: C32 H36 N4 O12
• Calculated formula: C32 H36 N4 O12
• SMILES: N1(C(=O)c2cccc3c2c(C1=O)ccc3)CC(=O)[O-].[NH2+]1CC[NH2+]CC1.O.O.c12cccc3c1c(ccc3)C(=O)N(C2=O)CC(=O)[O-].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: 16.0482 ± 0.0016 Å
• b: 6.7332 ± 0.0006 Å
• c: 14.503 ± 0.0019 Å
• α: 90°
• β: 100.002 ± 0.012°
• γ: 90°
• Cell volume: 1543.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No