Information card for entry 7013462

Structure parameters

• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• SMILES: c1cccc(/C=N/CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1
• Title of publication: Excimer emission induced by metal ion coordination in 1,8-naphthalimide-tethered iminopyridine ligands
• Authors of publication: Licchelli, Maurizio; Biroli, Alessio Orbelli; Poggi, Antonio; Sacchi, Donatella; Sangermani, Corrado; Zema, Michele
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4537
• a: 8.038 ± 0.006 Å
• b: 9.247 ± 0.004 Å
• c: 12.334 ± 0.003 Å
• α: 81.09 ± 0.03°
• β: 74.06 ± 0.04°
• γ: 77.2 ± 0.05°
• Cell volume: 855.3 ± 0.8 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: 0.1778
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No